ChemSpider 2D Image | N-[(2S)-2-{[(2S)-2-Amino-2-carboxyethyl]amino}-2-carboxyethyl]-D-aspartic acid | C10H17N3O8

N-[(2S)-2-{[(2S)-2-Amino-2-carboxyethyl]amino}-2-carboxyethyl]-D-aspartic acid

  • Molecular FormulaC10H17N3O8
  • Average mass307.257 Da
  • Monoisotopic mass307.101563 Da
  • ChemSpider ID128441501

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide N-[(2S)-2-{[(2S)-2-amino-2-carboxyéthyl]amino}-2-carboxyéthyl]-D-aspartique [French] [ACD/IUPAC Name]
D-Aspartic acid, N-[(2S)-2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]- [ACD/Index Name]
N-[(2S)-2-{[(2S)-2-Amino-2-carboxyethyl]amino}-2-carboxyethyl]-D-asparaginsäure [German] [ACD/IUPAC Name]
N-[(2S)-2-{[(2S)-2-Amino-2-carboxyethyl]amino}-2-carboxyethyl]-D-aspartic acid [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4516180/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 87.1±3.0 dyne/cm
Molar Volume: 194.5±3.0 cm3

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