ChemSpider 2D Image | 2,2'-Dioctanoyl-L-cystine | C22H40N2O6S2

2,2'-Dioctanoyl-L-cystine

  • Molecular FormulaC22H40N2O6S2
  • Average mass492.693 Da
  • Monoisotopic mass492.232788 Da
  • ChemSpider ID65998639

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-Dioctanoyl-L-cystin [German] [ACD/IUPAC Name]
2,2'-Dioctanoyl-L-cystine [ACD/IUPAC Name]
2,2'-Dioctanoyl-L-cystine [French] [ACD/IUPAC Name]
L-Cystine, 2,2'-bis(1-oxooctyl)- [ACD/Index Name]
Dicapryloyl cystine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 101.9±6.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 10.88
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 138.23
ACD/KOC (pH 5.5): 204.95
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 5.72
Polar Surface Area: 211 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 410.6±3.0 cm3

Click to predict properties on the Chemicalize site


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