ChemSpider 2D Image | (2S,3R)-2-Hydroxy-3-(methylamino)butanoic acid | C5H11NO3

(2S,3R)-2-Hydroxy-3-(methylamino)butanoic acid

  • Molecular FormulaC5H11NO3
  • Average mass133.146 Da
  • Monoisotopic mass133.073898 Da
  • ChemSpider ID32991210

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Hydroxy-3-(methylamino)butanoic acid [ACD/IUPAC Name]
(2S,3R)-2-Hydroxy-3-(methylamino)butansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-2-hydroxy-3-(méthylamino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-3-(methylamino)-, (2S,3R)- [ACD/Index Name]
1354422-68-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 316.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.7±6.0 kJ/mol
Flash Point: 145.2±23.7 °C
Index of Refraction: 1.476
Molar Refractivity: 31.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 112.8±3.0 cm3

Click to predict properties on the Chemicalize site


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