ChemSpider 2D Image | (2R)-2-Benzyl-2-{[(benzyloxy)carbonyl]amino}butanoic anhydride | C38H40N2O7

(2R)-2-Benzyl-2-{[(benzyloxy)carbonyl]amino}butanoic anhydride

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID8434025

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Benzyl-2-{[(benzyloxy)carbonyl]amino}butanoic anhydride [ACD/IUPAC Name]
(2R)-2-Benzyl-2-{[(benzyloxy)carbonyl]amino}butansäureanhydrid [German] [ACD/IUPAC Name]
Anhydride (2R)-2-benzyl-2-{[(benzyloxy)carbonyl]amino}butanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 784.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 427.9±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 369118.13
ACD/KOC (pH 5.5): 336148.91
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 364931.63
ACD/KOC (pH 7.4): 332336.34
Polar Surface Area: 120 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 527.7±3.0 cm3

Click to predict properties on the Chemicalize site


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