ChemSpider 2D Image | N-(4-Fluorobenzyl)-5-hydroxy-1-(~13~C)methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboximidic acid | C1913CH21FN6O5

N-(4-Fluorobenzyl)-5-hydroxy-1-(13C)methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboximidic acid

  • Molecular FormulaC1913CH21FN6O5
  • Average mass445.409 Da
  • Monoisotopic mass445.159088 Da
  • ChemSpider ID57268030

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Pyrimidinecarboximidic acid, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-(methyl-13C)-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo- [ACD/Index Name]
Acide N-(4-fluorobenzyl)-5-hydroxy-1-(13C)méthyl-2-(2-{[(5-méthyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboximidique [French] [ACD/IUPAC Name]
N-(4-Fluorbenzyl)-5-hydroxy-1-(13C)methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidincarboximidsäure [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-5-hydroxy-1-(13C)methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboximidic acid [ACD/IUPAC Name]
RALTEGRAVIR-13C-D3

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: 1.651
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site


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