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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 17:12, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 456499890 of page 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 17:12, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 456499890 of page 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 456499890 of page 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of 2-amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
Skeletal formula of 2-amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
Names
IUPAC name (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate
Other names Pteridine diphosphate
Identifiers
3D model (JSmol)
Beilstein Reference 8397629
ChEBI
ChemSpider
KEGG
MeSH 2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine
PubChem CID
InChI
  • InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)Key: FCQGJGLSOWZZON-UHFFFAOYSA-N
  • InChI=1/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)Key: FCQGJGLSOWZZON-UHFFFAOYAR
SMILES
  • NC1=NC(=O)C2=C(NCC(COP(O)(=O)OP(O)(O)=O)=N2)N1
  • C1C(=NC2=C(N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O
  • O=P(O)(O)OP(=O)(O)OCC/1=N/C=2C(=O)\N=C(/NC=2NC\1)N
Properties
Chemical formula C7H11N5O8P2
Molar mass 355.140 g·mol
log P -2.915
Acidity (pKa) 1.252
Basicity (pKb) 12.745
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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