ChemSpider 2D Image | (2S)-2-[(N-Acetylalanyl)oxy]propanoic acid | C8H13NO5

(2S)-2-[(N-Acetylalanyl)oxy]propanoic acid

  • Molecular FormulaC8H13NO5
  • Average mass203.193 Da
  • Monoisotopic mass203.079376 Da
  • ChemSpider ID68024534

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-[(N-Acetylalanyl)oxy]propanoic acid [ACD/IUPAC Name]
(2S)-2-[(N-Acetylalanyl)oxy]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[(N-acétylalanyl)oxy]propanoïque [French] [ACD/IUPAC Name]
Alanine, N-acetyl-, (1S)-1-carboxyethyl ester [ACD/Index Name]
AC-D-ALA-D-LACTIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 411.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±6.0 kJ/mol
Flash Point: 202.6±23.2 °C
Index of Refraction: 1.468
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 165.4±3.0 cm3

Click to predict properties on the Chemicalize site


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