ChemSpider 2D Image | (1alpha,11alpha)-1,3,11,19-Tetraacetoxy-5,14-dihydroxyandrostane-17-carboxylic acid | C28H40O12

(1α,11α)-1,3,11,19-Tetraacetoxy-5,14-dihydroxyandrostane-17-carboxylic acid

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID22890268
  • defined stereocentres - 2 of 10 defined stereocentres


More details:






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

(1α,11α)-1,3,11,19-Tetraacetoxy-5,14-dihydroxyandrostan-17-carbonsäure [German] [ACD/IUPAC Name]
(1α,11α)-1,3,11,19-Tetraacetoxy-5,14-dihydroxyandrostane-17-carboxylic acid [ACD/IUPAC Name]
Acide (1α,11α)-1,3,11,19-tétraacétoxy-5,14-dihydroxyandrostane-17-carboxylique [French] [ACD/IUPAC Name]
Androstane-17-carboxylic acid, 1,3,11,19-tetrakis(acetyloxy)-5,14-dihydroxy-, (1α,11α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 205.8±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.13
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

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