ChemSpider 2D Image | (5xi,12beta,17xi,20xi)-12-Acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid | C32H42O9

(5ξ,12β,17ξ,20ξ)-12-Acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID8501168
  • 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-Acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(5ξ,12β,17ξ,20ξ)-12-Acetoxy-3,7,11,15,23-pentaoxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,12β,17ξ,20ξ)-12-acétoxy-3,7,11,15,23-pentaoxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3,7,11,15,23-pentaoxo-, (5ξ,12β,17ξ,20ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 222.9±26.4 °C
Index of Refraction: 1.553
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 9.97
ACD/KOC (pH 5.5): 106.40
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 149 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 454.8±5.0 cm3

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