ChemSpider 2D Image | alpha-Aspartyl-L-proline | C9H14N2O5

α-Aspartyl-L-proline

  • Molecular FormulaC9H14N2O5
  • Average mass230.218 Da
  • Monoisotopic mass230.090271 Da
  • ChemSpider ID57461358
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Proline, α-aspartyl- [ACD/Index Name]
α-Asparagyl-L-prolin [German] [ACD/IUPAC Name]
α-Aspartyl-L-proline [ACD/IUPAC Name]
α-Aspartyl-L-proline [French] [ACD/IUPAC Name]
(2S)-1-[(2R)-2-AMINO-3-CARBOXYPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 534.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 277.3±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 155.0±3.0 cm3

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