ChemSpider 2D Image | N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-benzylpropanoyl]-L-phenylalanine | C27H31N2O5P

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

  • Molecular FormulaC27H31N2O5P
  • Average mass494.519 Da
  • Monoisotopic mass494.197052 Da
  • ChemSpider ID25032125

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalanine, N-[(2S)-3-[[(1S)-1-amino-2-phenylethyl]hydroxyphosphinyl]-1-oxo-2-(phenylmethyl)propyl]- [ACD/Index Name]
N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-benzylpropanoyl]-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-benzylpropanoyl]-L-phenylalanine [ACD/IUPAC Name]
N-[(2S)-3-{[(1S)-1-Amino-2-phényléthyl](hydroxy)phosphoryl}-2-benzylpropanoyl]-L-phénylalanine [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: 839.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.4±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 386.2±3.0 cm3

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