ChemSpider 2D Image | 2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate | C9H18N5O14P3

2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate

  • Molecular FormulaC9H18N5O14P3
  • Average mass513.186 Da
  • Monoisotopic mass513.006287 Da
  • ChemSpider ID389683

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate
N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosylamin [German] [ACD/IUPAC Name]
N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosylamine [ACD/IUPAC Name]
N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosylamine [French] [ACD/IUPAC Name]
β-D-Ribofuranosylamine, N-(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
({[({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(2R,3S,4R,5R)-5-[(2,5-diamino-6-oxo-1H-pyrimidin-4-yl)amino]-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
2,5-diamino-3,4-dihydro-4-oxo-6-(5-triphosphoribosylamino)pyrimidine
2,5-Diaminopyrimidine nucleoside triphosphate
N-(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosylamine

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

C05923 [DBID]
  • Miscellaneous

    • Chemical Class:

      A ribose 5-triphosphate compound having a 2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-ylamino substituent at the 1-position. ChEBI CHEBI:929

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.886
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -6.64
ACD/LogD (pH 5.5): -12.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 210.0±7.0 dyne/cm
Molar Volume: 188.1±7.0 cm3

Click to predict properties on the Chemicalize site


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