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ChemSpider 2D Image | 5'-O-({[(Phosphonatooxy)phosphinato]oxy}phosphinato)adenosine | C10H12N5O13P3


  • Molecular FormulaC10H12N5O13P3
  • Average mass503.151 Da
  • Monoisotopic mass502.966644 Da
  • ChemSpider ID4574455
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5'-O-({[(Phosphonatooxy)phosphinato]oxy}phosphinato)adenosin [German] [ACD/IUPAC Name]
5'-O-({[(Phosphonatooxy)phosphinato]oxy}phosphinato)adenosine [ACD/IUPAC Name]
5'-O-({[(Phosphonatooxy)phosphinato]oxy}phosphinato)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-(tetrahydrogen triphosphate), ion(4-) [ACD/Index Name]
34369-07-8 [RN]
5-(6-Aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-ylmethoxy-hydroxy-phosphoryloxy-hydroxy-phosphoryl oxyphosphonic acid
adenosine 5'-triphosphate(4-)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:30616 [DBID]
nchembio.2007.22-comp5 [DBID]
nchembio.94-comp18 [DBID]
ZINC03930010 [DBID]
ZINC04261762 [DBID]
ZINC04261763 [DBID]
ZINC04261765 [DBID]
  • Miscellaneous
    • Chemical Class:

      A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3. ChEBI CHEBI:30616

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Boiling Point: 951.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.1±3.0 kJ/mol
Flash Point: 529.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -10.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Surface Tension:
Molar Volume:

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