ChemSpider 2D Image | (3beta,5alpha,6beta,11alpha,12alpha)-3,5,6,11-Tetrahydroxygorgostan-12-yl acetate | C32H54O6

(3β,5α,6β,11α,12α)-3,5,6,11-Tetrahydroxygorgostan-12-yl acetate

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID29215567

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,5α,6β,11α,12α)-3,5,6,11-Tetrahydroxygorgostan-12-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,11α,12α)-3,5,6,11-Tetrahydroxygorgostan-12-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,11α,12α)-3,5,6,11-tétrahydroxygorgostan-12-yle [French] [ACD/IUPAC Name]
Pregnane-3,5,6,11,12-pentol, 20-[(1R,2R)-2-[(1R)-1,2-dimethylpropyl]-2-methylcyclopropyl]-, 12-acetate, (3β,5α,6β,11α,12α,20R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 182.6±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3846.09
ACD/KOC (pH 5.5): 12815.94
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3846.08
ACD/KOC (pH 7.4): 12815.92
Polar Surface Area: 107 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 458.4±5.0 cm3

Click to predict properties on the Chemicalize site


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