ChemSpider 2D Image | 2'-Deoxy-2-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-3-hydroadenosine | C10H12N5O13P3

2'-Deoxy-2-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-3-hydroadenosine

  • Molecular FormulaC10H12N5O13P3
  • Average mass503.151 Da
  • Monoisotopic mass502.966644 Da
  • ChemSpider ID31150428

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-2-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-3-hydroadenosine [ACD/IUPAC Name]
2'-Desoxy-2-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-3-hydroadenosin [German] [ACD/IUPAC Name]
2'-Désoxy-2-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-3-hydroadénosine [French] [ACD/IUPAC Name]
3-Hydroadenosine, 2'-deoxy-2-oxo-, 5'-(tetrahydrogen triphosphate), ion(4-) [ACD/Index Name]
2'-deoxyisoguanosine triphosphate
2'-deoxyisoguanosine triphosphate(4-)
2-HO-dATP(4-)
2-hydroxy-2'-deoxyadenosine 5'-triphosphate
2-hydroxy-dATP
2-hydroxy-dATP(4-)
More...
  • Miscellaneous

    • Chemical Class:

      A 2'-deoxyribonucleoside triphosphate oxoanion that is the tetraanion of 2'-deoxy-2-hydroxyadenosine 5'-triphosphate, arising from deprotonation of the triphosphate OH groups. It is the major microspe cies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77897

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: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.84
ACD/LogD (pH 5.5): -12.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability:
Surface Tension:
Molar Volume:

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