ChemSpider 2D Image | (1R,4S,8beta,9alpha,11beta,13alpha,14beta,17alpha,20S,24S)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol | C30H52O4

(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID68895036

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-en-1,11,24,25-tetrol [German] [ACD/IUPAC Name]
(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,24,25-tetrol [ACD/IUPAC Name]
(1R,4S,8β,9α,11β,13α,14β,17α,20S,24S)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholest-5-ène-1,11,24,25-tétrol [French] [ACD/IUPAC Name]
Estr-5-ene-3,11-diol, 17-[(1S,4S)-4,5-dihydroxy-1,5-dimethylhexyl]-4,4,9,14-tetramethyl-, (3α,8α,11β,13α,14β,17α)- [ACD/Index 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: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 242.9±24.7 °C
Index of Refraction: 1.553
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5921.96
ACD/KOC (pH 5.5): 17455.12
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5921.96
ACD/KOC (pH 7.4): 17455.12
Polar Surface Area: 81 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

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