ChemSpider 2D Image | Methyl (3beta,5alpha,6alpha,12alpha)-12-acetoxy-6-hydroxy-3-(methoxymethoxy)cholan-24-oate | C29H48O7

Methyl (3β,5α,6α,12α)-12-acetoxy-6-hydroxy-3-(methoxymethoxy)cholan-24-oate

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID9224629

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,6α,12α)-12-Acétoxy-6-hydroxy-3-(méthoxyméthoxy)cholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 12-(acetyloxy)-6-hydroxy-3-(methoxymethoxy)-, methyl ester, (3β,5α,6α,12α)- [ACD/Index Name]
Methyl (3β,5α,6α,12α)-12-acetoxy-6-hydroxy-3-(methoxymethoxy)cholan-24-oate [ACD/IUPAC Name]
Methyl-(3β,5α,6α,12α)-12-acetoxy-6-hydroxy-3-(methoxymethoxy)cholan-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: 557.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 169.3±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2150.15
ACD/KOC (pH 5.5): 8452.35
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2150.15
ACD/KOC (pH 7.4): 8452.35
Polar Surface Area: 91 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 449.3±5.0 cm3

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