ChemSpider 2D Image | (3beta)-(26,26,26,27,27,27-~2~H_6_)Cholesta-5,7,24-trien-3-ol | C27H36D6O

(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7,24-trien-3-ol

  • Molecular FormulaC27H36D6O
  • Average mass388.659 Da
  • Monoisotopic mass388.361237 Da
  • ChemSpider ID58781940
  • 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-5,7,24-trien-3-ol [German] [ACD/IUPAC Name]
(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7,24-trien-3-ol [ACD/IUPAC Name]
(3β)-(26,26,26,27,27,27-2H6)Cholesta-5,7,24-trién-3-ol [French] [ACD/IUPAC Name]
Cholesta-5,7,24-trien-26,26,26,27,27,27-d6-3-ol, (3β)- [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: 496.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 212.3±17.9 °C
Index of Refraction: 1.547
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 7.98
ACD/BCF (pH 5.5): 684396.94
ACD/KOC (pH 5.5): 522978.59
ACD/LogD (pH 7.4): 7.98
ACD/BCF (pH 7.4): 684396.94
ACD/KOC (pH 7.4): 522978.59
Polar Surface Area: 20 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

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