ChemSpider 2D Image | 1-[2-Deoxy-3-O-methyl-5-O-(phosphonomethyl)-D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione | C12H19N2O8P

1-[2-Deoxy-3-O-methyl-5-O-(phosphonomethyl)-D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H19N2O8P
  • Average mass350.262 Da
  • Monoisotopic mass350.087891 Da
  • ChemSpider ID25064404

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[2-Deoxy-3-O-methyl-5-O-(phosphonomethyl)-D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2-Desoxy-3-O-methyl-5-O-(phosphonomethyl)-D-threo-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2-Désoxy-3-O-méthyl-5-O-(phosphonométhyl)-D-thréo-pentofuranosyl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3-O-methyl-5-O-(phosphonomethyl)-D-threo-pentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 75.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 231.7±5.0 cm3

Click to predict properties on the Chemicalize site


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