ChemSpider 2D Image | 1-(3-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-2,3-dideoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C13H18ClN5O6

1-(3-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-2,3-dideoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC13H18ClN5O6
  • Average mass375.765 Da
  • Monoisotopic mass375.094574 Da
  • ChemSpider ID15056870

More details:

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

1-(3-{[(2-Chlorethyl)(nitroso)carbamoyl]amino}-2,3-didesoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(3-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-2,3-dideoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(3-{[(2-chloroethyl)(nitroso)carbamoyl]amino}-2,3-dideoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
1-(3-{[(2-Chloroéthyl)(nitroso)carbamoyl]amino}-2,3-didésoxypentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2,3-dideoxypentofuranosyl]-5-methyl- [ACD/Index Name]
N-(2-chloroethyl)-N'-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]-N-nitrosourea

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.96
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.80
Polar Surface Area: 141 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 221.9±7.0 cm3

Click to predict properties on the Chemicalize site


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