ChemSpider 2D Image | 5'-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosine | C10H13N5O13P3

5'-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosine

  • Molecular FormulaC10H13N5O13P3
  • Average mass504.159 Da
  • Monoisotopic mass503.973907 Da
  • ChemSpider ID8046436

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
5'-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adenosine [ACD/IUPAC Name]
5'-O-[({[(Hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-(tetrahydrogen triphosphate), ion(3-) [ACD/Index Name]
Adenosine 5'-triphosphate
ATP(3-)

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

9535056 [DBID]
nchembio.2007.55-comp21 [DBID]
  • Miscellaneous

    • Chemical Class:

      A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups. ChEBI CHEBI:57299

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

Density:
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: 317 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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