ChemSpider 2D Image | 8-Oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-8-hydroadenosine | C10H12N5O14P3

8-Oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-8-hydroadenosine

  • Molecular FormulaC10H12N5O14P3
  • Average mass519.151 Da
  • Monoisotopic mass518.961548 Da
  • ChemSpider ID128920135

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-Hydroadenosine, 8-oxo-, 5'-(tetrahydrogen triphosphate), ion(4-) [ACD/Index Name]
8-Oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-8-hydroadenosin [German] [ACD/IUPAC Name]
8-Oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-8-hydroadenosine [ACD/IUPAC Name]
8-Oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-8-hydroadénosine [French] [ACD/IUPAC Name]
8-oxoadenosine-5'-triphosphate tetraanion
8-oxoadenosine-5'-triphosphate(4-)
8-oxo-ATP
8-oxo-ATP tetraanion
8-oxo-ATP(4-)
  • Miscellaneous

    • Chemical Class:

      A nucleoside triphosphate(4-) that is ATP with adenine bearing a single oxo substituent at position 8; major species present at pH 7.3. ChEBI CHEBI:189076

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.08
ACD/LogD (pH 5.5): -12.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 334 Å2
Polarizability:
Surface Tension:
Molar Volume:

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