ChemSpider 2D Image | zymosterol intermediate 1b | C28H44O2

zymosterol intermediate 1b

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID23107044

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5α)-3-Hydroxycholesta-8,24-dien-4-carbaldehyd [German] [ACD/IUPAC Name]
(3β,5α)-3-Hydroxycholesta-8,24-diene-4-carbaldehyde [ACD/IUPAC Name]
(3β,5α)-3-Hydroxycholesta-8,24-diène-4-carbaldéhyde [French] [ACD/IUPAC Name]
Cholesta-8,24-diene-4-carboxaldehyde, 3-hydroxy-, (3β,5α)- [ACD/Index Name]
zymosterol intermediate 1b
(20R)-3β-hydroxy-5α-cholesta-8,24-diene-4-carbaldehyde
4-formylzymosterol
4α-formyl-5α-cholesta-8,24-dien-3β-ol

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: 517.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 218.9±22.7 °C
Index of Refraction: 1.539
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 421126.47
ACD/KOC (pH 5.5): 369425.47
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 421126.47
ACD/KOC (pH 7.4): 369425.47
Polar Surface Area: 37 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 397.0±5.0 cm3

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