ChemSpider 2D Image | (2S)-2-[3-(Aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid | C20H27N2O4P

(2S)-2-[3-(Aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid

  • Molecular FormulaC20H27N2O4P
  • Average mass390.413 Da
  • Monoisotopic mass390.170837 Da
  • ChemSpider ID35035132
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-[3-(Aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid [ACD/IUPAC Name]
(2S)-2-[3-(Aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[3-(aminométhyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phénylpropyl](hydroxy)phosphoryl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-(aminomethyl)-α-[[(R)-[(1R,1R)-1-amino-3-phenylpropyl]hydroxyphosphinyl]methyl]-, (αS)- [ACD/Index Name]
3DZ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 306.2±3.0 cm3

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