ChemSpider 2D Image | N-Acetyl-S-{[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-(~13~C)methyl(~13~C_3_)propyl]-4-methyl-5-oxo(2-~13~C)-2-pyrrolidinyl](oxo)(~13~C)methyl}-L-cysteine | C913C6H24N2O7S

N-Acetyl-S-{[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-(13C)methyl(13C3)propyl]-4-methyl-5-oxo(2-13C)-2-pyrrolidinyl](oxo)(13C)methyl}-L-cysteine

  • Molecular FormulaC913C6H24N2O7S
  • Average mass382.381 Da
  • Monoisotopic mass382.150543 Da
  • ChemSpider ID8795255

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Cysteine, N-acetyl-S-[[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-(methyl-13C)propyl-1,2,3-13C3]-4-methyl-5-oxo-2-pyrrolidinyl-2-13C]oxomethyl-13C]- [ACD/Index Name]
N-Acetyl-S-{[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-(13C)methyl(13C3)propyl]-4-methyl-5-oxo(2-13C)-2-pyrrolidinyl](oxo)(13C)methyl}-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-{[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-(13C)methyl(13C3)propyl]-4-methyl-5-oxo(2-13C)-2-pyrrolidinyl](oxo)(13C)methyl}-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-{[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-(13C)méthyl(13C3)propyl]-4-méthyl-5-oxo(2-13C)-2-pyrrolidinyl](oxo)(13C)méthyl}-L-cystéine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 89.0±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: 35.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

Click to predict properties on the Chemicalize site


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