ChemSpider 2D Image | L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide | C16H25N3O3

L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide

  • Molecular FormulaC16H25N3O3
  • Average mass307.388 Da
  • Monoisotopic mass307.189606 Da
  • ChemSpider ID25058906

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alaninamide, L-alanyl-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)propyl]- [ACD/Index Name]
L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
L-Alanyl-N-[(2S,3R)-3-hydroxy-1-phenyl-2-butanyl]-L-alaninamid [German] [ACD/IUPAC Name]
L-Alanyl-N-[(2S,3R)-3-hydroxy-1-phenyl-2-butanyl]-L-alaninamide [ACD/IUPAC Name]
L-Alanyl-N-[(2S,3R)-3-hydroxy-1-phényl-2-butanyl]-L-alaninamide [French] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-aminopropanamido]-N-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]propanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.94
Polar Surface Area: 104 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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