ChemSpider 2D Image | Dimethyl (3R)-3-hydroxy-D-aspartate | C6H11NO5

Dimethyl (3R)-3-hydroxy-D-aspartate

  • Molecular FormulaC6H11NO5
  • Average mass177.155 Da
  • Monoisotopic mass177.063721 Da
  • ChemSpider ID25084747

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-Hydroxy-D-aspartate de diméthyle [French] [ACD/IUPAC Name]
D-Aspartic acid, 3-hydroxy-, dimethyl ester, (3R)- [ACD/Index Name]
Dimethyl (3R)-3-hydroxy-D-aspartate [ACD/IUPAC Name]
Dimethyl-(3R)-3-hydroxy-D-aspartat [German] [ACD/IUPAC Name]
746558-88-3 [RN]
Dimethyl (S)-3-hydroxy-L-aspartate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 299.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.5±6.0 kJ/mol
Flash Point: 134.6±27.3 °C
Index of Refraction: 1.474
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.25
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.01
Polar Surface Area: 99 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 136.5±3.0 cm3

Click to predict properties on the Chemicalize site


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