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Revision as of 05:17, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 445132202 of page Allixin for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 05:18, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 474984523 of page Allo-Inositol for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Chembox
| verifiedrevid = 445131003 | verifiedrevid = 445132332
| ImageFile = Allixin.svg | ImageFile = Allo-inositol.svg
| ImageSize = 200px | ImageSize = 180px
| Name = ''allo''-Inositol
| IUPACName = 3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4''H''-pyran-4-one
| IUPACName = (1''R'',2''R'',3''R'',4''R'',5''S'')-cyclohexane-1,2,3,4,5-pentaol
| OtherNames = | OtherNames =
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | CASNo = <!-- blanked - oldvalue: 125263-70-9 -->
⚫ | ChemSpiderID = 16736991
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| InChI = 1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
⚫ | PubChem = 86374
| InChIKey = CDAISMWEOUEBRE-OQYPVSDDBT
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| SMILES1 = O1(O)(O)(O)(O)1O
⚫ | ChemSpiderID = 77892
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 851A356OPF
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3 | 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_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = OHRPDNHRQKOLGN-UHFFFAOYSA-N | StdInChIKey = CDAISMWEOUEBRE-OQYPVSDDSA-N
⚫ | CASNo = <!-- blanked - oldvalue: 643-10-7 -->
| SMILES = O=C1C(/OC)=C(\O/C(=C1/O)CCCCC)C
⚫ | PubChem =
| InChI = InChI=1S/C12H18O4/c1-4-5-6-7-9-10(13)11(14)12(15-3)8(2)16-9/h13H,4-7H2,1-3H3
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
}}
| ChEBI = 22357
| SMILES = O1(O)(O)(O)C1O}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=12|H=18|O=4 | C=6 | H=12 | O=6
| Appearance = | Appearance =
| Density = | Density =
| MeltingPt = | MeltingPt =
| BoilingPt = | BoilingPt =
| Solubility = | Solubility = }}
}}
| Section3 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| MainHazards = | MainHazards =
| FlashPt = | FlashPt =
| Autoignition = | Autoignition = }}
}}
}} }}

Revision as of 05:18, 17 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 474984523 of page Allo-Inositol with values updated to verified values.
allo-Inositol
Names
IUPAC name (1R,2R,3R,4R,5S)-cyclohexane-1,2,3,4,5-pentaol
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
InChI
  • 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
SMILES
  • O1(O)(O)(O)C1O
  • O1(O)(O)(O)(O)1O
Properties
Chemical formula C6H12O6
Molar mass 180.156 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound