ChemSpider 2D Image | (3beta,5beta,6beta)-(25,26,26,26,27,27,27-~2~H_7_)-5,6-Epoxycholestan-3-ol | C27H39D7O2

(3β,5β,6β)-(25,26,26,26,27,27,27-2H7)-5,6-Epoxycholestan-3-ol

  • Molecular FormulaC27H39D7O2
  • Average mass409.696 Da
  • Monoisotopic mass409.393707 Da
  • ChemSpider ID2497519

  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,5β,6β)-(25,26,26,26,27,27,27-2H7)-5,6-Epoxycholestan-3-ol [ACD/IUPAC Name]
(3β,5β,6β)-(25,26,26,26,27,27,27-2H7)-5,6-Epoxycholestan-3-ol [German] [ACD/IUPAC Name]
(3β,5β,6β)-(25,26,26,26,27,27,27-2H7)-5,6-Époxycholestan-3-ol [French] [ACD/IUPAC Name]
Cholestan-25,26,26,26,27,27,27-d7-3-ol, 5,6-epoxy-, (3β,5β,6β)- [ACD/Index Name]
127684-06-4 [RN]
5,6β-epoxy-5β-cholestan-3β-ol(d7)
5,6β-epoxy-cholesterol(d7)
cholestanol, 5?,6?-epoxy-d7
MFCD22416715

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

LMST01010009 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 497.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 200.9±15.5 °C
Index of Refraction: 1.533
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 112079.38
ACD/KOC (pH 5.5): 143228.27
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 112079.38
ACD/KOC (pH 7.4): 143228.27
Polar Surface Area: 33 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 386.5±5.0 cm3

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