ChemSpider 2D Image | (3beta,5alpha,6beta)-6-Methoxy(25,26,26,26,27,27,27-~2~H_7_)-3,5-cyclocholestan-24-ol | C28H41D7O2

(3β,5α,6β)-6-Methoxy(25,26,26,26,27,27,27-2H7)-3,5-cyclocholestan-24-ol

  • Molecular FormulaC28H41D7O2
  • Average mass423.723 Da
  • Monoisotopic mass423.409363 Da
  • ChemSpider ID8892528

  • defined stereocentres - 10 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5α,6β)-6-Methoxy(25,26,26,26,27,27,27-2H7)-3,5-cyclocholestan-24-ol [ACD/IUPAC Name]
(3β,5α,6β)-6-Methoxy(25,26,26,26,27,27,27-2H7)-3,5-cyclocholestan-24-ol [German] [ACD/IUPAC Name]
(3β,5α,6β)-6-Méthoxy(25,26,26,26,27,27,27-2H7)-3,5-cyclocholestan-24-ol [French] [ACD/IUPAC Name]
3,5-Cyclocholestan-25,26,26,26,27,27,27-d7-24-ol, 6-methoxy-, (3β,5α,6β)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 494.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.7±6.0 kJ/mol
Flash Point: 194.7±15.5 °C
Index of Refraction: 1.530
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 199248.73
ACD/KOC (pH 5.5): 216213.70
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 199248.73
ACD/KOC (pH 7.4): 216213.70
Polar Surface Area: 29 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

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