ChemSpider 2D Image | N-ACETYL-R-(1,2-DIMETHOXYCARBONYLETHYL)CYSTEINE | C11H17NO7S

N-ACETYL-R-(1,2-DIMETHOXYCARBONYLETHYL)CYSTEINE

  • Molecular FormulaC11H17NO7S
  • Average mass307.320 Da
  • Monoisotopic mass307.072571 Da
  • ChemSpider ID32699836

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

914933-57-6 [RN]
Butanedioic acid, 2-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-, 1,4-dimethyl ester [ACD/Index Name]
N-ACETYL-R-(1,2-DIMETHOXYCARBONYLETHYL)CYSTEINE
N-Acetyl-S-(1,4-dimethoxy-1,4-dioxo-2-butanyl)-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(1,4-dimethoxy-1,4-dioxo-2-butanyl)-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(1,4-diméthoxy-1,4-dioxo-2-butanyl)-L-cystéine [French] [ACD/IUPAC Name]
N-acetyl-S-(1,2-dimethoxycarbonylethyl)cysteine

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

I4D1XH65H6 [DBID]
UNII:I4D1XH65H6 [DBID]
UNII-I4D1XH65H6 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 232.4±3.0 cm3

Click to predict properties on the Chemicalize site


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