ChemSpider 2D Image | O-((((N-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid | C30H35N2O8P

O-((((N-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid

  • Molecular FormulaC30H35N2O8P
  • Average mass582.581 Da
  • Monoisotopic mass582.213074 Da
  • ChemSpider ID20572580

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-({[(1R)-1-({N-[(Benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoic acid [ACD/IUPAC Name]
(2S)-2-({[(1R)-1-({N-[(Benzyloxy)carbonyl]-L-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl}oxy)-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-({[(1R)-1-({N-[(benzyloxy)carbonyl]-L-phénylalanyl}amino)-2-méthylpropyl](hydroxy)phosphoryl}oxy)-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[hydroxy[(1R)-2-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]propyl]phosphinyl]oxy]-, (αS)- [ACD/Index Name]
O-((((N-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid
FVF

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: 1.587
Molar Refractivity: 151.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.97
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 451.1±3.0 cm3

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