ChemSpider 2D Image | Triphosphoric acid, mono[[(5aS,6R,7R,9R,11R)-2-amino-3,4,5,5a,6,7-hexahydro-6,11-dihydroxy-4-oxo-6,9-methano-9H-[1,3]oxazino[3,4-e]purin-7-yl]methyl] ester, ion(4-) | C10H12N5O14P3

Triphosphoric acid, mono[[(5aS,6R,7R,9R,11R)-2-amino-3,4,5,5a,6,7-hexahydro-6,11-dihydroxy-4-oxo-6,9-methano-9H-[1,3]oxazino[3,4-e]purin-7-yl]methyl] ester, ion(4-)

  • Molecular FormulaC10H12N5O14P3
  • Average mass519.151 Da
  • Monoisotopic mass518.961548 Da
  • ChemSpider ID58163467

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(5aS,6R,7R,9R,11R)-2-amino-3,4,5,5a,6,7-hexahydro-6,11-dihydroxy-4-oxo-6,9-methano-9H-[1,3]oxazino[3,4-e]purin-7-yl]methyl] ester, ion(4-) [ACD/Index Name]
(8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate
(8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate(4-)
3',8-cH2GTP
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate; major species at pH 7.3. ChEBI CHEBI:131766

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: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -4.52
ACD/LogD (pH 5.5): -9.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 333 Å2
Polarizability:
Surface Tension:
Molar Volume:

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