ChemSpider 2D Image | (2S)-3-{[(1R)-1-Amino-3-phenylpropyl](hydroxy)phosphoryl}-2-benzylpropanoic acid | C19H24NO4P

(2S)-3-{[(1R)-1-Amino-3-phenylpropyl](hydroxy)phosphoryl}-2-benzylpropanoic acid

  • Molecular FormulaC19H24NO4P
  • Average mass361.372 Da
  • Monoisotopic mass361.144287 Da
  • ChemSpider ID23313181
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2s)-3-[(S)-[(1r)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]-2-Benzylpropanoic Acid
(2S)-3-{[(1R)-1-Amino-3-phenylpropyl](hydroxy)phosphoryl}-2-benzylpropanoic acid [ACD/IUPAC Name]
(2S)-3-{[(1R)-1-Amino-3-phenylpropyl](hydroxy)phosphoryl}-2-benzylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-{[(1R)-1-amino-3-phénylpropyl](hydroxy)phosphoryl}-2-benzylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[[(1R)-1-amino-3-phenylpropyl]hydroxyphosphinyl]methyl]-, (αS)- [ACD/Index Name]
(S)-3-[((R)-1-amino-3-phenyl-propyl)-hydroxy-phosphinoyl]-2-benzyl-propionic acid
37B
CHEMBL254284

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 286.2±3.0 cm3

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