ChemSpider 2D Image | (Z)-S-(4-Acetoxy-3-oxobutyl)-N-(1-hydroxyethylidene)-D-cysteine | C11H17NO6S

(Z)-S-(4-Acetoxy-3-oxobutyl)-N-(1-hydroxyethylidene)-D-cysteine

  • Molecular FormulaC11H17NO6S
  • Average mass291.321 Da
  • Monoisotopic mass291.077667 Da
  • ChemSpider ID57268985

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(Z)-S-(4-Acetoxy-3-oxobutyl)-N-(1-hydroxyethyliden)-D-cystein [German] [ACD/IUPAC Name]
(Z)-S-(4-Acetoxy-3-oxobutyl)-N-(1-hydroxyethylidene)-D-cysteine [ACD/IUPAC Name]
(Z)-S-(4-Acétoxy-3-oxobutyl)-N-(1-hydroxyéthylidène)-D-cystéine [French] [ACD/IUPAC Name]
D-Cysteine, S-[4-(acetyloxy)-3-oxobutyl]-N-(1-hydroxyethylidene)-, (Z)- [ACD/Index Name]
144889-52-1 [RN]
1-Acetoxy-4-(N-acetyl-L-cysteinyl)-2-butanone
N-Acetyl-S-[4-(acetyloxy)-3-oxobutyl]-D-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: 488.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 249.2±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 69.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 220.2±7.0 cm3

Click to predict properties on the Chemicalize site


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