ChemSpider 2D Image | Methyl (5xi,12beta,17xi,20xi)-12-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oate | C33H44O9

Methyl (5ξ,12β,17ξ,20ξ)-12-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oate

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID9574021

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(5ξ,12β,17ξ,20ξ)-12-Acétoxy-3,7,11,15,23-pentaoxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3,7,11,15,23-pentaoxo-, methyl ester, (5ξ,12β,17ξ,20ξ)- [ACD/Index Name]
Methyl (5ξ,12β,17ξ,20ξ)-12-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(5ξ,12β,17ξ,20ξ)-12-acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 282.1±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.59
ACD/KOC (pH 5.5): 1193.70
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.59
ACD/KOC (pH 7.4): 1193.70
Polar Surface Area: 138 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 479.6±5.0 cm3

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