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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.
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Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref') per Chem/Drugbox validation (report [[Wikipedia_talk:Wi
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{{Chembox
{{Chembox
| verifiedrevid = 399494703
| ImageFile = Allo-inositol.svg
| ImageFile = Allo-inositol.svg
| ImageSize = 180px
| ImageSize = 180px
Line 6: Line 7:
| OtherNames =
| OtherNames =
| Section1 = {{Chembox Identifiers
| Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 16736991
| ChemSpiderID = 16736991
| InChI = 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+
| InChIKey = 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_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
| 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_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = CDAISMWEOUEBRE-OQYPVSDDSA-N
| StdInChIKey = CDAISMWEOUEBRE-OQYPVSDDSA-N
| CASNo = 643-10-7
| CASNo = 643-10-7

Revision as of 10:29, 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+ checkY
    Key: CDAISMWEOUEBRE-OQYPVSDDSA-N checkY
  • 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).
checkY verify (what is checkY☒N ?)

Allo-inositol is a stereoisomer of inositol.

See also


source: https://en.wikipedia.org/w/index.php?diff=399495683&oldid=399494703

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