ChemSpider 2D Image | (3R)-3-{[(Benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid | C13H15NO6

(3R)-3-{[(Benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC13H15NO6
  • Average mass281.261 Da
  • Monoisotopic mass281.089935 Da
  • ChemSpider ID24603088
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-{[(Benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(3R)-3-{[(Benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid (non-preferred name)
(3R)-3-{[(Benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-{[(benzyloxy)carbonyl]amino}-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester [ACD/Index Name]
(R)-3-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid
(r)-3-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid(wxg00102)
47087-37-6 [RN]
DS-18788
MFCD09842077
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 498.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.6±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 215.6±3.0 cm3

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