ChemSpider 2D Image | (3beta,7beta)-(25,26,26,27,27,27-~2~H_6_)Cholest-5-ene-3,7,26-triol | C27H40D6O3

(3β,7β)-(25,26,26,27,27,27-2H6)Cholest-5-ene-3,7,26-triol

  • Molecular FormulaC27H40D6O3
  • Average mass424.689 Da
  • Monoisotopic mass424.382355 Da
  • ChemSpider ID115010697

  • defined stereocentres - 9 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,7β)-(25,26,26,27,27,27-2H6)Cholest-5-en-3,7,26-triol [German] [ACD/IUPAC Name]
(3β,7β)-(25,26,26,27,27,27-2H6)Cholest-5-ene-3,7,26-triol [ACD/IUPAC Name]
(3β,7β)-(25,26,26,27,27,27-2H6)Cholest-5-ène-3,7,26-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-25,26,26,27,27,27-d6-3,7,26-triol, (3β,7β)- [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: 552.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 232.6±20.5 °C
Index of Refraction: 1.549
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4811.18
ACD/KOC (pH 5.5): 15043.49
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4811.18
ACD/KOC (pH 7.4): 15043.49
Polar Surface Area: 61 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

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