ChemSpider 2D Image | dATP(3-) | C10H13N5O12P3

dATP(3-)

  • Molecular FormulaC10H13N5O12P3
  • Average mass488.159 Da
  • Monoisotopic mass487.979004 Da
  • ChemSpider ID23105280

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosine [ACD/IUPAC Name]
2'-Desoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
2'-Désoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate), ion(3-) [ACD/Index Name]
dATP(3-)
({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
2'-Deoxyadenosine 5'-triphosphate
dATP trianion

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

CHEBI:495505 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 2'-deoxyribonucleoside triphosphate oxoanion that is the trianion of 2'-deoxyadenosine 5'-triphosphate, arising from deprotonation of three of the four triphosphate OH groups. ChEBI CHEBI:495505

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

Density:
Boiling Point: 913.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 506.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.93
ACD/LogD (pH 5.5): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability:
Surface Tension:
Molar Volume:

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