ChemSpider 2D Image | (25S)-3-Hydroxycholesta-3,5-dien-26-oic acid | C27H42O3

(25S)-3-Hydroxycholesta-3,5-dien-26-oic acid

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID26329346
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(25S)-3-Hydroxycholesta-3,5-dien-26-oic acid [ACD/IUPAC Name]
(25S)-3-Hydroxycholesta-3,5-dien-26-säure [German] [ACD/IUPAC Name]
(8α,10α,25s)-3-Hydroxycholesta-3,5-Dien-26-Oic Acid
Acide (25S)-3-hydroxycholesta-3,5-dién-26-oïque [French] [ACD/IUPAC Name]
Cholesta-3,5-dien-26-oic acid, 3-hydroxy-, (25S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 312.0±21.6 °C
Index of Refraction: 1.555
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 6286.16
ACD/KOC (pH 5.5): 10991.46
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 101.49
ACD/KOC (pH 7.4): 177.45
Polar Surface Area: 58 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 378.1±5.0 cm3

Click to predict properties on the Chemicalize site






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