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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChemSpiderID InChI1 InChIKey1 SMILES1.
Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.
Line 7: Line 7:
| Section1 = {{Chembox Identifiers
| Section1 = {{Chembox Identifiers
| ChemSpiderID = 16736991
| ChemSpiderID = 16736991
| InChI1 = 1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
| InChI = 1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
| InChIKey1 = CDAISMWEOUEBRE-OQYPVSDDBT
| InChIKey = CDAISMWEOUEBRE-OQYPVSDDBT
| SMILES1 = O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
| SMILES1 = O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
| StdInChI = 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
| StdInChIKey = CDAISMWEOUEBRE-OQYPVSDDSA-N
| CASNo = 643-10-7
| CASNo = 643-10-7
| PubChem =
| PubChem =

Revision as of 10:18, 29 November 2010

Allo-inositol
Names
IUPAC name
(1R,2R,3R,4R,5S)-cyclohexane-1,2,3,4,5-pentaol
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.010.358 Edit this at Wikidata
  • InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
    Key: CDAISMWEOUEBRE-OQYPVSDDSA-N
  • InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
    Key: CDAISMWEOUEBRE-OQYPVSDDBT
  • O[C@H]1[C@@H](O)[C@H](O)[C@H](O)C[C@@H]1O
  • O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Properties
C6H12O6
Molar mass 180.156 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Allo-inositol is a stereoisomer of inositol.

See also


source: https://en.wikipedia.org/w/index.php?title=Allo-Inositol&diff=prev&oldid=399494703

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