ChemSpider 2D Image | (3beta,7beta,8xi,9xi,14xi)-3,7-Diacetoxyandrost-5-en-7-yl methyl beta-D-glucopyranosiduronate | C30H44O11

(3β,7β,8ξ,9ξ,14ξ)-3,7-Diacetoxyandrost-5-en-7-yl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC30H44O11
  • Average mass580.664 Da
  • Monoisotopic mass580.288391 Da
  • ChemSpider ID8394093

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(3β,7β,8ξ,9ξ,14ξ)-3,7-Diacetoxyandrost-5-en-7-yl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,7β,8ξ,9ξ,14ξ)-3,7-Diacetoxyandrost-5-en-7-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,7β,8ξ,9ξ,14ξ)-3,7-bis(acetyloxy)androst-5-en-7-yl, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 208.2±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2132.68
ACD/KOC (pH 5.5): 8403.13
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2132.64
ACD/KOC (pH 7.4): 8403.00
Polar Surface Area: 158 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 437.2±5.0 cm3

Click to predict properties on the Chemicalize site


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