ChemSpider 2D Image | (3alpha,12beta,24S,25S)-3-(2-Carboxyacetoxy)-12-hydroxy-24-methyl-23-oxolanost-8-en-26-oic acid | C34H52O8

(3α,12β,24S,25S)-3-(2-Carboxyacetoxy)-12-hydroxy-24-methyl-23-oxolanost-8-en-26-oic acid

  • Molecular FormulaC34H52O8
  • Average mass588.772 Da
  • Monoisotopic mass588.366211 Da
  • ChemSpider ID78439383

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,12β,24S,25S)-3-(2-Carboxyacetoxy)-12-hydroxy-24-methyl-23-oxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3α,12β,24S,25S)-3-(2-Carboxyacetoxy)-12-hydroxy-24-methyl-23-oxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3α,12β,24S,25S)-3-(2-carboxyacétoxy)-12-hydroxy-24-méthyl-23-oxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[(3α,12β,24S,25S)-12,26-dihydroxy-24-methyl-23,26-dioxolanost-8-en-3-yl] ester [ACD/Index Name]
Fomitopsin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 216.5±26.4 °C
Index of Refraction: 1.553
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 9.66
ACD/KOC (pH 5.5): 18.07
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 492.3±5.0 cm3

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