ChemSpider 2D Image | MFCD09842745 | C213C4H9NO5

MFCD09842745

  • Molecular FormulaC213C4H9NO5
  • Average mass179.110 Da
  • Monoisotopic mass179.061493 Da
  • ChemSpider ID49071507

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1217460-88-2 [RN]
Acide N-acétyl-L-(13C4)aspartique [French] [ACD/IUPAC Name]
L-Aspartic-13C4 acid, N-acetyl- [ACD/Index Name]
MFCD09842745
N-Acetyl-L-(13C4)asparaginsäure [German] [ACD/IUPAC Name]
N-Acetyl-L-(13C4)aspartic acid [ACD/IUPAC Name]
N-Acetyl-L-aspartic acid-1,2,3,4-13C4
(2S)-2-acetamido((13)C4)butanedioic acid
N-acetyl-L-aspartic acid-1,2,3,4-(13)C4
N-acetyl-L-aspartic acid-1,2,3,4-[(13)C4]
  • Miscellaneous

    • Chemical Class:

      A (13)C-modified compound that is N-acetyl-L-aspartic acid in which the carbon atoms at postions 1, 2, 3 and 4 are present as their (13)C isotopes. Used in biological studies for metabolic alterations associated with schizophrenia. ChEBI CHEBI:176586

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.506
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 123.1±3.0 cm3

Click to predict properties on the Chemicalize site


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