ChemSpider 2D Image | N-[(2S)-2-Carboxy-2-{[(2S)-2-carboxypropyl]amino}ethyl]-L-aspartic acid | C11H18N2O8

N-[(2S)-2-Carboxy-2-{[(2S)-2-carboxypropyl]amino}ethyl]-L-aspartic acid

  • Molecular FormulaC11H18N2O8
  • Average mass306.269 Da
  • Monoisotopic mass306.106323 Da
  • ChemSpider ID76787482

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-[(2S)-2-carboxy-2-{[(2S)-2-carboxypropyl]amino}éthyl]-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(2S)-2-carboxy-2-[[(2S)-2-carboxypropyl]amino]ethyl]- [ACD/Index Name]
N-[(2S)-2-Carboxy-2-{[(2S)-2-carboxypropyl]amino}ethyl]-L-asparaginsäure [German] [ACD/IUPAC Name]
N-[(2S)-2-Carboxy-2-{[(2S)-2-carboxypropyl]amino}ethyl]-L-aspartic acid [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 310.7±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 207.4±3.0 cm3

Click to predict properties on the Chemicalize site


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