ChemSpider 2D Image | (25R)-3β-Hydroxycholest-5-en-26-oic acid | C27H44O3

(25R)-3β-Hydroxycholest-5-en-26-oic acid

  • Molecular FormulaC27H44O3
  • Average mass416.637 Da
  • Monoisotopic mass416.329041 Da
  • ChemSpider ID25942571
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(25R)-3β-hydroxycholest-5-en-26-oic acid
(25R)-3β-Hydroxycholest-5-en-26-oic acid
(3β,20R,25R)-3-Hydroxycholest-5-en-26-oic acid [ACD/IUPAC Name]
(3β,20R,25R)-3-Hydroxycholest-5-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,20R,25R)-3-hydroxycholest-5-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-5-en-26-oic acid, 3-hydroxy-, (3β,20R,25R)- [ACD/Index Name]
3β-Hydroxy-5-cholestenoic acid
6561-58-6 [RN]
CHOLESTENOIC ACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 301.4±19.1 °C
Index of Refraction: 1.544
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 12376.38
ACD/KOC (pH 5.5): 17850.50
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 199.82
ACD/KOC (pH 7.4): 288.20
Polar Surface Area: 58 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

Click to predict properties on the Chemicalize site






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