ChemSpider 2D Image | 7?,27-dihydroxycholesterol | C27H46O3

7?,27-dihydroxycholesterol

  • Molecular FormulaC27H46O3
  • Average mass418.652 Da
  • Monoisotopic mass418.344696 Da
  • ChemSpider ID30786013
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3β,7α,8ξ,25R)-Cholest-5-en-3,7,26-triol [German] [ACD/IUPAC Name]
(3β,7α,8ξ,25R)-Cholest-5-ene-3,7,26-triol [ACD/IUPAC Name]
(3β,7α,8ξ,25R)-Cholest-5-ène-3,7,26-triol [French] [ACD/IUPAC Name]
7?,27-dihydroxycholesterol
Cholest-5-ene-3,7,26-triol, (3β,7α,8ξ,25R)- [ACD/Index Name]
(25<i>R</i>)-7&α;,26-dihydroxycholesterol
(25<i>R</i>)-7&α;,27-dihydroxycholesterol
(25<i>R</i>)-cholest-5-ene-3&β;,7&α;,26-triol
(25<i>R</i>)-cholest-5-ene-3&β;,7&α;,27-triol
(25R)-7α,26-dihydroxycholesterol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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