ChemSpider 2D Image | zymosterol intermediate 1c | C29H46O2

zymosterol intermediate 1c

  • Molecular FormulaC29H46O2
  • Average mass426.674 Da
  • Monoisotopic mass426.349792 Da
  • ChemSpider ID23107010

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

1-[(3β,5α)-3-Hydroxycholesta-8,24-dien-4-yl]ethanon [German] [ACD/IUPAC Name]
1-[(3β,5α)-3-Hydroxycholesta-8,24-dien-4-yl]ethanone [ACD/IUPAC Name]
1-[(3β,5α)-3-Hydroxycholesta-8,24-dién-4-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3β,5α)-3-hydroxycholesta-8,24-dien-4-yl]- [ACD/Index Name]
zymosterol intermediate 1c
1-(3β-hydroxy-5α-cholesta-8,24-dien-4-yl)ethanone

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 529.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 223.6±22.7 °C
Index of Refraction: 1.536
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 478850.66
ACD/KOC (pH 5.5): 405003.78
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 478850.66
ACD/KOC (pH 7.4): 405003.78
Polar Surface Area: 37 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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