ChemSpider 2D Image | N-{(2S)-3-[(1-Amino-2-phenylethyl)(hydroxy)phosphoryl]-2-benzylpropanoyl}-L-alanine | C21H27N2O5P

N-{(2S)-3-[(1-Amino-2-phenylethyl)(hydroxy)phosphoryl]-2-benzylpropanoyl}-L-alanine

  • Molecular FormulaC21H27N2O5P
  • Average mass418.423 Da
  • Monoisotopic mass418.165771 Da
  • ChemSpider ID25033267

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alanine, N-[(2S)-3-[(1-amino-2-phenylethyl)hydroxyphosphinyl]-1-oxo-2-(phenylmethyl)propyl]- [ACD/Index Name]
N-{(2S)-3-[(1-Amino-2-phenylethyl)(hydroxy)phosphoryl]-2-benzylpropanoyl}-L-alanin [German] [ACD/IUPAC Name]
N-{(2S)-3-[(1-Amino-2-phenylethyl)(hydroxy)phosphoryl]-2-benzylpropanoyl}-L-alanine [ACD/IUPAC Name]
N-{(2S)-3-[(1-Amino-2-phényléthyl)(hydroxy)phosphoryl]-2-benzylpropanoyl}-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.4±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

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