ChemSpider 2D Image | D-alpha-Aspartyl-D-alanine | C7H12N2O5

D-α-Aspartyl-D-alanine

  • Molecular FormulaC7H12N2O5
  • Average mass204.181 Da
  • Monoisotopic mass204.074615 Da
  • ChemSpider ID57488732

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Alanine, D-α-aspartyl- [ACD/Index Name]
D-α-Asparagyl-D-alanin [German] [ACD/IUPAC Name]
D-α-Aspartyl-D-alanine [ACD/IUPAC Name]
D-α-Aspartyl-D-alanine [French] [ACD/IUPAC Name]
(3R)-3-AMINO-3-{[(1R)-1-CARBOXYETHYL]CARBAMOYL}PROPANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 283.6±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 143.7±3.0 cm3

Click to predict properties on the Chemicalize site


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