ChemSpider 2D Image | 8-Methyl-2-[(4-methylphenyl)sulfonyl]-4,9-cycloprostan-1-oic acid | C28H44O4S

8-Methyl-2-[(4-methylphenyl)sulfonyl]-4,9-cycloprostan-1-oic acid

  • Molecular FormulaC28H44O4S
  • Average mass476.712 Da
  • Monoisotopic mass476.296021 Da
  • ChemSpider ID31001138

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

4,9-Cycloprostan-1-oic acid, 8-methyl-2-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
8-Methyl-2-[(4-methylphenyl)sulfonyl]-4,9-cycloprostan-1-oic acid [ACD/IUPAC Name]
8-Methyl-2-[(4-methylphenyl)sulfonyl]-4,9-cycloprostan-1-säure [German] [ACD/IUPAC Name]
Acide 8-méthyl-2-[(4-méthylphényl)sulfonyl]-4,9-cycloprostan-1-oïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.54
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 1214.81
ACD/KOC (pH 5.5): 842.91
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 184.06
ACD/KOC (pH 7.4): 127.71
Polar Surface Area: 80 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 443.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement