ChemSpider 2D Image | (3alpha,24R)-3-(2-Carboxyacetoxy)-24-methyl-23-oxolanost-8-en-26-oic acid | C34H52O7

(3α,24R)-3-(2-Carboxyacetoxy)-24-methyl-23-oxolanost-8-en-26-oic acid

  • Molecular FormulaC34H52O7
  • Average mass572.773 Da
  • Monoisotopic mass572.371277 Da
  • ChemSpider ID24686859

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,24R)-3-(2-Carboxyacetoxy)-24-methyl-23-oxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3α,24R)-3-(2-Carboxyacetoxy)-24-methyl-23-oxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3α,24R)-3-(2-carboxyacétoxy)-24-méthyl-23-oxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[(3α,24R)-26-hydroxy-24-methyl-23,26-dioxolanost-8-en-3-yl] ester [ACD/Index Name]
3α-carboxyacetoxyquercinic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448136/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±6.0 kJ/mol
Flash Point: 205.9±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 105.44
ACD/KOC (pH 5.5): 100.05
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 118 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 494.5±5.0 cm3

Click to predict properties on the Chemicalize site


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