ChemSpider 2D Image | (3beta)-(26,26,26,27,27,27-~2~H_6_)Cholesta-5,7-diene-3,25-diol | C27H38D6O2

(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7-diene-3,25-diol

  • Molecular FormulaC27H38D6O2
  • Average mass406.674 Da
  • Monoisotopic mass406.371796 Da
  • ChemSpider ID58783886
  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7-dien-3,25-diol [German] [ACD/IUPAC Name]
(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7-diene-3,25-diol [ACD/IUPAC Name]
(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7-diène-3,25-diol [French] [ACD/IUPAC Name]
Cholesta-5,7-diene-26,26,26,27,27,27-d6-3,25-diol, (3β)- [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: 527.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 221.8±22.8 °C
Index of Refraction: 1.549
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53258.09
ACD/KOC (pH 5.5): 84087.00
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53258.09
ACD/KOC (pH 7.4): 84087.00
Polar Surface Area: 40 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

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