ChemSpider 2D Image | N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine | C9H13NO6S

N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine

  • Molecular FormulaC9H13NO6S
  • Average mass263.268 Da
  • Monoisotopic mass263.046356 Da
  • ChemSpider ID13628313

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine
(R)-4-(2-acetamido-2-carboxyethylthio)-2-oxobutanoic acid
4-{[(2R)-2-Acetamido-2-carboxyethyl]sulfanyl}-2-oxobutanoic acid [ACD/IUPAC Name]
4-{[(2R)-2-Acetamido-2-carboxyethyl]sulfanyl}-2-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(2R)-2-acétamido-2-carboxyéthyl]sulfanyl}-2-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-2-oxo- [ACD/Index Name]
(R)-4-(2-acetamido-2-carboxyethylthio)-2-oxobutanoate
NAc-OCPC
4-{[(2R)-2-carboxy-2-acetamidoethyl]sulfanyl}-2-oxobutanoic acid
622368-00-7 [RN]

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

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

Density: 1.4±0.0 g/cm3
Boiling Point: 578.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 94.6±0.0 kJ/mol
Flash Point: 303.8±0.0 °C
Index of Refraction: 1.549
Molar Refractivity: 58.5±0.0 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -6.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 23.2±0.0 10-24cm3
Surface Tension: 64.1±0.0 dyne/cm
Molar Volume: 183.7±0.0 cm3

Click to predict properties on the Chemicalize site


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