ChemSpider 2D Image | (3beta,5alpha)-4,4-Dimethylcholesta-8,14,25-trien-3-ol | C29H46O

(3β,5α)-4,4-Dimethylcholesta-8,14,25-trien-3-ol

  • Molecular FormulaC29H46O
  • Average mass410.675 Da
  • Monoisotopic mass410.354858 Da
  • ChemSpider ID23232316
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3β,5α)-4,4-Dimethylcholesta-8,14,25-trien-3-ol [ACD/IUPAC Name]
(3β,5α)-4,4-Dimethylcholesta-8,14,25-trien-3-ol [German] [ACD/IUPAC Name]
(3β,5α)-4,4-Diméthylcholesta-8,14,25-trién-3-ol [French] [ACD/IUPAC Name]
Cholesta-8,14,25-trien-3-ol, 4,4-dimethyl-, (3β,5α)- [ACD/Index Name]
(3S,5R,10S,13R,17R)-17-((R)-1,5-Dimethyl-hex-5-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL350069/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 511.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 221.5±22.1 °C
Index of Refraction: 1.538
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.07
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2050544.25
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2050544.25
Polar Surface Area: 20 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 410.5±5.0 cm3

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