ChemSpider 2D Image | 3-{[(1S)-1,3-Dicarboxylatopropyl]carbamoyl}-3-hydroxypentanedioate | C11H11NO10

3-{[(1S)-1,3-Dicarboxylatopropyl]carbamoyl}-3-hydroxypentanedioate

  • Molecular FormulaC11H11NO10
  • Average mass317.208 Da
  • Monoisotopic mass317.040497 Da
  • ChemSpider ID30786116

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(1S)-1,3-Dicarboxylatopropyl]carbamoyl}-3-hydroxypentandioat [German] [ACD/IUPAC Name]
3-{[(1S)-1,3-Dicarboxylatopropyl]carbamoyl}-3-hydroxypentanedioate [ACD/IUPAC Name]
3-{[(1S)-1,3-Dicarboxylatopropyl]carbamoyl}-3-hydroxypentanedioate [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[3-carboxy-2-(carboxymethyl)-2-hydroxy-1-oxopropyl]-, ion(4-) [ACD/Index Name]
β-citrylglutamate
β-citrylglutamate(4-)
β-citrylglutamate(4-)η-citrylglutamate
  • Miscellaneous

    • Chemical Class:

      A tetracarboxylic acid anion obtained by deprotonation of the four carboxy groups of beta-citrylglutamic acid; major species at pH 7.3. ChEBI CHEBI:76942

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

Density:
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -7.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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