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Search term: 57558644 (Found by CSID)
ChemSpider 2D Image | N-Acetyl-S-(2-hydroxy-3-buten-1-yl)-L-cysteine | C9H15NO4S

N-Acetyl-S-(2-hydroxy-3-buten-1-yl)-L-cysteine

  • Molecular FormulaC9H15NO4S
  • Average mass233.285 Da
  • Monoisotopic mass233.072174 Da
  • ChemSpider ID57558644

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-(2-hydroxy-3-buten-1-yl)- [ACD/Index Name]
N-Acetyl-S-(2-hydroxy-3-buten-1-yl)-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(2-hydroxy-3-buten-1-yl)-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(2-hydroxy-3-butén-1-yl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-Acetamido-3-((2-hydroxybut-3-en-1-yl)thio)propanoic acid
159092-64-5 [RN]
N-Acetyl-S-(2-hydroxybut-3-en-1-yl)-L-cysteine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 272.0±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 185.0±3.0 cm3

Click to predict properties on the Chemicalize site


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