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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:15, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 431345037 of page Xanthosine_triphosphate for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:15, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 431345037 of page Xanthosine_triphosphate for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 431345037 of page Xanthosine_triphosphate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C10H12N4O6.3H3O4P/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18;3*1-5(2,3)4/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19);3*(H3,1,2,3,4)/t3-,5-,6-,9-;;;/m1.../s1Key: BKBQKVXTMZOVRH-CYCLDIHTSA-N
  • InChI=1/C10H12N4O6.3H3O4P/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18;3*1-5(2,3)4/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19);3*(H3,1,2,3,4)/t3-,5-,6-,9-;;;/m1.../s1Key: BKBQKVXTMZOVRH-CYCLDIHTBT
SMILES
  • OP(O)(=O)O.OP(O)(=O)O.OP(O)(=O)O.O=C3Nc2c(ncn21O(CO)(O)1O)C(=O)N3
Properties
Chemical formula C10H15N4O15P3
Molar mass 524.17 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