ChemSpider 2D Image | 1-Methyl-6-oxo-6H-benzo[c]chromen-3-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate | C31H25NO6

1-Methyl-6-oxo-6H-benzo[c]chromen-3-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate

  • Molecular FormulaC31H25NO6
  • Average mass507.533 Da
  • Monoisotopic mass507.168182 Da
  • ChemSpider ID21834854

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Methyl-6-oxo-6H-benzo[c]chromen-3-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate [ACD/IUPAC Name]
1-Methyl-6-oxo-6H-benzo[c]chromen-3-yl-N-[(benzyloxy)carbonyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, 1-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-phénylalaninate de 1-méthyl-6-oxo-6H-benzo[c]chromén-3-yle [French] [ACD/IUPAC Name]
(S)-1-methyl-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
1-methyl-6-oxobenzo[c]chromen-3-yl (2S)-3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoate
2-Benzyloxycarbonylamino-3-phenyl-propionic acid 1-methyl-6-oxo-6H-benzo[c]chromen-3-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 102338.68
ACD/KOC (pH 5.5): 134203.77
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 102296.10
ACD/KOC (pH 7.4): 134147.94
Polar Surface Area: 91 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 391.1±3.0 cm3

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