ChemSpider 2D Image | N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-phosphonato-beta-D-ribofuranosylamine | C9H14N5O8P

N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-phosphonato-β-D-ribofuranosylamine

  • Molecular FormulaC9H14N5O8P
  • Average mass351.211 Da
  • Monoisotopic mass351.059082 Da
  • ChemSpider ID26331269

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-phosphonato-β-D-ribofuranosylamin [German] [ACD/IUPAC Name]
N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-phosphonato-β-D-ribofuranosylamine [ACD/IUPAC Name]
N-(2,5-Diamino-6-oxo-1,6-dihydro-4-pyrimidinyl)-5-O-phosphonato-β-D-ribofuranosylamine [French] [ACD/IUPAC Name]
β-D-Ribofuranosylamine, N-(2,5-diamino-6-hydroxy-4-pyrimidinyl)-, 5-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
1-deoxy-1-[(2,5-diamino-6-hydroxypyrimidin-3-yl)amino]-β-D-ribofuranose 5-phosphate
2,5-diamino-4-hydroxy-6-(5-phosphonatoribosylamino)pyrimidine(3-)
2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-monophosphate(2-)
2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate
2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate(2-)
2,5-diamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one(2-)
More...
  • Miscellaneous

    • Chemical Class:

      Dianion of 2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine. ChEBI CHEBI:58614
      The dianion formed by removal of two protons from the phosphate group of 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate. ChEBI CHEBI:59545

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

Density:
Boiling Point: 871.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.8±3.0 kJ/mol
Flash Point: 481.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -5.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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