ChemSpider 2D Image | N,O-Dimethyl-L-allothreonine | C6H13NO3

N,O-Dimethyl-L-allothreonine

  • Molecular FormulaC6H13NO3
  • Average mass147.172 Da
  • Monoisotopic mass147.089539 Da
  • ChemSpider ID32977246
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Allothreonine, N,O-dimethyl- [ACD/Index Name]
N,O-Dimethyl-L-allothreonin [German] [ACD/IUPAC Name]
N,O-Dimethyl-L-allothreonine [ACD/IUPAC Name]
N,O-Diméthyl-L-allothréonine [French] [ACD/IUPAC Name]
1932407-36-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 225.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.9±6.0 kJ/mol
Flash Point: 90.2±24.6 °C
Index of Refraction: 1.444
Molar Refractivity: 36.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 138.1±3.0 cm3

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