ChemSpider 2D Image | O-Ethyl-D-allothreonine | C6H13NO3

O-Ethyl-D-allothreonine

  • Molecular FormulaC6H13NO3
  • Average mass147.172 Da
  • Monoisotopic mass147.089539 Da
  • ChemSpider ID32041200

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Allothreonine, O-ethyl- [ACD/Index Name]
O-Ethyl-D-allothreonin [German] [ACD/IUPAC Name]
O-Ethyl-D-allothreonine [ACD/IUPAC Name]
O-Éthyl-D-allothréonine [French] [ACD/IUPAC Name]
1279031-26-3 [RN]
23846-14-2 [RN]
ALLO-O-ETHYL-D-THR

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

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 258.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.6±6.0 kJ/mol
Flash Point: 109.8±24.6 °C
Index of Refraction: 1.463
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 133.0±3.0 cm3

Click to predict properties on the Chemicalize site


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