ChemSpider 2D Image | 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methyl-2-oxo-1,2-dihydro-4-pyrimidinolate | C10H14N2O14P3

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methyl-2-oxo-1,2-dihydro-4-pyrimidinolate

  • Molecular FormulaC10H14N2O14P3
  • Average mass479.146 Da
  • Monoisotopic mass478.967438 Da
  • ChemSpider ID95639740

  • Charge - Charge

More details:

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

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methyl-2-oxo-1,2-dihydro-4-pyrimidinolate [ACD/IUPAC Name]
1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-methyl-2-oxo-1,2-dihydro-4-pyrimidinolat [German] [ACD/IUPAC Name]
1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-méthyl-2-oxo-1,2-dihydro-4-pyrimidinolate [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-4-hydroxy-5-methyl-, ion(3-) [ACD/Index Name]

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

Density:
Boiling Point: 818.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 448.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.52
ACD/LogD (pH 5.5): -11.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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