ChemSpider 2D Image | L-beta-aspartyl-L-glutamic acid | C9H14N2O7

L-β-aspartyl-L-glutamic acid

  • Molecular FormulaC9H14N2O7
  • Average mass262.217 Da
  • Monoisotopic mass262.080109 Da
  • ChemSpider ID67170361

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide L-β-aspartyl-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, L-β-aspartyl- [ACD/Index Name]
L-β-Asparagyl-L-glutaminsäure [German] [ACD/IUPAC Name]
L-β-aspartyl-L-glutamic acid [ACD/IUPAC Name]
(2S)-2-{[(3S)-3-amino-3-carboxypropanoyl]amino}pentanedioic acid
L-β-Asp-L-Glu
N-??-Aspartylglutamins??ure
β-Asp-Glu

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

Density: 1.5±0.1 g/cm3
Boiling Point: 654.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -6.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 171.3±3.0 cm3

Click to predict properties on the Chemicalize site


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