ChemSpider 2D Image | 3-Methyl-D-aspartic acid | C5H9NO4

3-Methyl-D-aspartic acid

  • Molecular FormulaC5H9NO4
  • Average mass147.129 Da
  • Monoisotopic mass147.053162 Da
  • ChemSpider ID28536694

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Methyl-D-asparaginsäure [German] [ACD/IUPAC Name]
3-Methyl-D-aspartic acid [ACD/IUPAC Name]
Acide 3-méthyl-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, 3-methyl- [ACD/Index Name]
(2R)-2-AMINO-3-METHYLBUTANEDIOIC ACID
(2R)-2-Amino-3-methylsuccinic acid
(2R)-2-Amino-3-methylsuccinicacid
(R)-2-Amino-3-methylsuccinic acid
[43176-54-1] [RN]
127001-58-5 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 259.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.7±6.0 kJ/mol
Flash Point: 110.6±24.6 °C
Index of Refraction: 1.519
Molar Refractivity: 31.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -4.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 104.8±3.0 cm3

Click to predict properties on the Chemicalize site


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