ChemSpider 2D Image | (2S,3R)-2-[(R)-Amino(phenyl)methyl]-3-hydroxy-N-[(1S)-1-phenylethyl]butanamide | C19H24N2O2

(2S,3R)-2-[(R)-Amino(phenyl)methyl]-3-hydroxy-N-[(1S)-1-phenylethyl]butanamide

  • Molecular FormulaC19H24N2O2
  • Average mass312.406 Da
  • Monoisotopic mass312.183777 Da
  • ChemSpider ID30651693

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R)-2-[(R)-Amino(phenyl)methyl]-3-hydroxy-N-[(1S)-1-phenylethyl]butanamid [German] [ACD/IUPAC Name]
(2S,3R)-2-[(R)-Amino(phenyl)methyl]-3-hydroxy-N-[(1S)-1-phenylethyl]butanamide [ACD/IUPAC Name]
(2S,3R)-2-[(R)-Amino(phényl)méthyl]-3-hydroxy-N-[(1S)-1-phényléthyl]butanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, β-amino-α-[(1R)-1-hydroxyethyl]-N-[(1S)-1-phenylethyl]-, (αS,βR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 4.63
ACD/KOC (pH 7.4): 74.03
Polar Surface Area: 75 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 274.9±3.0 cm3

Click to predict properties on the Chemicalize site


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