ChemSpider 2D Image | (3S)-3-Amino-4-oxo-7-phenylheptanoic acid | C13H17NO3

(3S)-3-Amino-4-oxo-7-phenylheptanoic acid

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID26326885

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-4-oxo-7-phenylheptanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-4-oxo-7-phenylheptansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-4-oxo-7-phénylheptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, β-amino-γ-oxo-, (βS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 210.0±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 200.6±3.0 cm3

Click to predict properties on the Chemicalize site


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