Costruttore di molecole

Disegna una molecola atomo per atomo, guardala in 3D e scopri come si chiama secondo le regole IUPAC, con i passaggi che portano al nome.

Clicca nell'area per aggiungere un atomo; clicca un atomo per allungare la catena o cambiarne l'elemento; trascina da un atomo per disegnare un legame; clicca un legame per cambiarne l'ordine.

SMILESEsempi

Formula: C₃H₆O₃
Massa molare: 90.08 g/mol

Nome IUPAC

acido 2-idrossipropanoico

Come si arriva al nome

Gruppo caratteristico principale: acido carbossilico (–COOH), espresso con il suffisso «-oico».
Idruro progenitore: catena di 3 atomi di carbonio (propano).
Criteri di scelta: più gruppi principali, poi catena più lunga, poi più legami multipli, poi più sostituenti.
Numerazione: locanti più bassi a gruppo principale (1), poi a sostituenti (2).
Prefissi in ordine alfabetico: 2-idrossi.

Cosa sa nominare

Il motore di nomenclatura copre catene e anelli carbociclici con alcani, alcheni, alchini, alogeni, eteri e i gruppi acido, estere, ammide, nitrile, aldeide, chetone, alcol e ammina (raccomandazioni IUPAC 2013). Per le strutture fuori perimetro, come eterocicli e anelli fusi, puoi chiedere il nome a PubChem.

La richiesta a PubChem parte dal server di questo sito solo quando premi il pulsante, e invia soltanto la struttura (in SMILES): il tuo browser non contatta servizi esterni.

IUPAC Blue Book (2013)

Licenze dei componenti

Il disegno 2D, la geometria 3D e il motore di nomenclatura sono scritti per questo sito. La vista 3D usa la libreria 3Dmol.js e le librerie incluse nel suo pacchetto, che il sito distribuisce al browser con le licenze qui sotto.

3dmol 2.5.5 · BSD-3-Clause

Comprende codice di GLmol (MIT o LGPL 3), Three.js (MIT) e jQuery (MIT).

Citazione richiesta dagli autori: N. Rego, D. Koes, “3Dmol.js: molecular visualization with WebGL”, Bioinformatics 31 (2015) 1322–1324, doi:10.1093/bioinformatics/btu829.

Testo completo della licenza

3Dmol.js incorporates code from GLmol, Three.js, and jQuery and
is licensed under a BSD-3-Clause license.

* 3Dmol.js
	Copyright (c) 2014, University of Pittsburgh and contributors
	All rights reserved.

	Redistribution and use in source and binary forms, with or without 
	modification, are permitted provided that the following conditions are met:

	1. Redistributions of source code must retain the above copyright 
	notice, this list of conditions and the following disclaimer.

	2. Redistributions in binary form must reproduce the above copyright 
	notice, this list of conditions and the following disclaimer in the 
	documentation and/or other materials provided with the distribution.

	3. Neither the name of the copyright holder nor the names of its 
	contributors may be used to endorse or promote products derived from 
	this software without specific prior written permission.

	THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS 
	"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT 
	LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A 
	PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
	HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, 
	SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED 
	TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR 
	PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF 
	LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING 
	NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS 
	SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

* GLmol
 GLmol - Molecular Viewer on WebGL/Javascript (0.47)
  (C) Copyright 2011-2012, biochem_fan
      License: dual license of MIT or LGPL3

  Contributors:
    Robert Hanson for parseXYZ, deferred instantiation



* Three.js 
     https://github.com/mrdoob/three.js

     Copyright (c) 2010-2012 three.js Authors. All rights reserved.

     Permission is hereby granted, free of charge, to any person obtaining a copy
     of this software and associated documentation files (the "Software"), to deal
     in the Software without restriction, including without limitation the rights
     to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
     copies of the Software, and to permit persons to whom the Software is
     furnished to do so, subject to the following conditions:

     The above copyright notice and this permission notice shall be included in
     all copies or substantial portions of the Software.

     THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
     IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
     FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
     AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
     LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
     OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
     THE SOFTWARE.

* jQuery
     http://jquery.org/

     Copyright (c) 2011 John Resig

     Permission is hereby granted, free of charge, to any person obtaining
     a copy of this software and associated documentation files (the
     "Software"), to deal in the Software without restriction, including
     without limitation the rights to use, copy, modify, merge, publish,
     distribute, sublicense, and/or sell copies of the Software, and to
     permit persons to whom the Software is furnished to do so, subject to
     the following conditions:

     The above copyright notice and this permission notice shall be
     included in all copies or substantial portions of the Software.

     THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
     EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
     MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
     NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE
     LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION
     OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION
     WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

iobuffer 5.4.0 · MIT

Testo completo della licenza

The MIT License (MIT)

Copyright (c) 2015 Michaël Zasso

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.

netcdfjs 3.0.0 · MIT

Testo completo della licenza

The MIT License (MIT)

Copyright (c) 2016 cheminfo

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.

pako 2.2.0 · (MIT AND Zlib)

Testo completo della licenza

(The MIT License)

Copyright (C) 2014-2017 by Vitaly Puzrin and Andrei Tuputcyn

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in
all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
THE SOFTWARE.

upng-js 2.1.0 · MIT

Testo completo della licenza

MIT License

Copyright (c) 2017 Photopea

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.

Dati

I nomi proposti da PubChem provengono dal database del National Center for Biotechnology Information (NLM, NIH, USA). L'NCBI non pone restrizioni all'uso dei dati, ma alcuni contenuti depositati da terzi possono essere soggetti a diritti: per questo il sito cita sempre la scheda di origine. NCBI policies ↗