ChemSpider 2D Image | Methyl 2-[2-{[(benzyloxy)carbonyl]amino}(~2~H_6_)-2-propanyl]-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidinecarboxylate | C17H13D6N3O6

Methyl 2-[2-{[(benzyloxy)carbonyl]amino}(2H6)-2-propanyl]-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidinecarboxylate

  • Molecular FormulaC17H13D6N3O6
  • Average mass367.386 Da
  • Monoisotopic mass367.165039 Da
  • ChemSpider ID35293897

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[2-{[(Benzyloxy)carbonyl]amino}(2H6)-2-propanyl]-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-2-[1-(methyl-d3)-1-[[(phenylmethoxy)carbonyl]amino]ethyl-2,2,2-d3]-6-oxo-, methyl ester [ACD/Index Name]
Methyl 2-[2-{[(benzyloxy)carbonyl]amino}(2H6)-2-propanyl]-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-2-[2-{[(benzyloxy)carbonyl]amino}(2H6)-2-propanyl]-5-hydroxy-6-oxo-1,6-dihydro-4-pyrimidincarboxylat [German] [ACD/IUPAC Name]
[1100750-73-9] [RN]
1100750-73-9 [RN]
Methyl 2-(2-(benzyloxycarbonylamino)-(1,3-d6-propan)-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
MFCD20133907

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 268.2±7.0 cm3

Click to predict properties on the Chemicalize site


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