ChemSpider 2D Image | (3beta)-(25,26,26,26-~2~H_4_)Cholest-5-en-3-ol | C27H42D4O

(3β)-(25,26,26,26-2H4)Cholest-5-en-3-ol

  • Molecular FormulaC27H42D4O
  • Average mass390.678 Da
  • Monoisotopic mass390.379974 Da
  • ChemSpider ID48063668
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3β)-(25,26,26,26-2H4)Cholest-5-en-3-ol [ACD/IUPAC Name]
(3β)-(25,26,26,26-2H4)Cholest-5-en-3-ol [German] [ACD/IUPAC Name]
(3β)-(25,26,26,26-2H4)Cholest-5-én-3-ol [French] [ACD/IUPAC Name]
Cholest-5-en-25,26,26,26-d4-3-ol, (3β)- [ACD/Index Name]
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
956029-28-0 [RN]
Cholesterol-d4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 480.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 209.3±12.4 °C
Index of Refraction: 1.525
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 838380.06
ACD/KOC (pH 5.5): 604739.75
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 838380.06
ACD/KOC (pH 7.4): 604739.75
Polar Surface Area: 20 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 391.4±5.0 cm3

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