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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:51, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 477226241 of page Adenosine_triphosphate for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 18:51, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 477226241 of page Adenosine_triphosphate for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 477226241 of page Adenosine_triphosphate with values updated to verified values.
Adenosine triphosphate
Skeletal formula of ATP
Ball-and-stick model, based on x-ray diffraction data
Space-filling model with hydrogen atoms omitted
Names
IUPAC name methyl(hydroxyphosphonooxyphosphoryl)hydrogen phosphate
Other names adenosine 5'-(tetrahydrogen triphosphate)
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
IUPHAR/BPS
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
  • InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Key: ZKHQWZAMYRWXGA-KQYNXXCUBG
SMILES
  • O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3O(n2cnc1c(ncnc12)N)(O)3O
  • c1nc(c2c(n1)n(cn2)3(((O3)CO(=O)(O)O(=O)(O)OP(=O)(O)O)O)O)N
Properties
Chemical formula C10H16N5O13P3
Molar mass 507.18 g/mol
Density 1.04 g/cm (disodium salt)
Melting point 187 °C (disodium salt)
decomposes
Acidity (pKa) 6.5
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