ChemSpider 2D Image | (3beta,12beta,17xi)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid | C32H44O9

(3β,12β,17ξ)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid

  • Molecular FormulaC32H44O9
  • Average mass572.686 Da
  • Monoisotopic mass572.298523 Da
  • ChemSpider ID58783820

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,12β,17ξ)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,12β,17ξ)-12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,12β,17ξ)-12-acétoxy-3-hydroxy-7,11,15,23-tétraoxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3-hydroxy-7,11,15,23-tetraoxo-, (3β,12β,17ξ)- [ACD/Index Name]
98665-19-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.6±6.0 kJ/mol
Flash Point: 222.5±26.4 °C
Index of Refraction: 1.558
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 15.96
ACD/KOC (pH 5.5): 149.05
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 152 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

Click to predict properties on the Chemicalize site


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