ChemSpider 2D Image | Methyl (3beta,20S)-3-acetoxychol-5-en-24-oate | C27H42O4

Methyl (3β,20S)-3-acetoxychol-5-en-24-oate

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID29212324

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,20S)-3-Acétoxychol-5-én-24-oate de méthyle [French] [ACD/IUPAC Name]
Chol-5-en-24-oic acid, 3-(acetyloxy)-, methyl ester, (3β,20S)- [ACD/Index Name]
Methyl (3β,20S)-3-acetoxychol-5-en-24-oate [ACD/IUPAC Name]
Methyl-(3β,20S)-3-acetoxychol-5-en-24-oat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 236.1±22.4 °C
Index of Refraction: 1.524
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98455.70
ACD/KOC (pH 5.5): 130539.15
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98455.70
ACD/KOC (pH 7.4): 130539.15
Polar Surface Area: 53 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 399.2±5.0 cm3

Click to predict properties on the Chemicalize site


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