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ChemSpider 2D Image | (3alpha,5alpha,17beta)-17-Hydroxyandrostan-3-yl alpha-D-erythro-hexopyranosiduronic acid | C25H40O8

(3α,5α,17β)-17-Hydroxyandrostan-3-yl α-D-erythro-hexopyranosiduronic acid

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID59673883
  • defined stereocentres - 11 of 13 defined stereocentres


More details:






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

(3α,5α,17β)-17-Hydroxyandrostan-3-yl α-D-erythro-hexopyranosiduronic acid [ACD/IUPAC Name]
(3α,5α,17β)-17-Hydroxyandrostan-3-yl-α-D-erythro-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-érythro-hexopyranosiduronique de (3α,5α,17β)-17-hydroxyandrostan-3-yle [French] [ACD/IUPAC Name]
α-D-erythro-Hexopyranosiduronic acid, (3α,5α,17β)-17-hydroxyandrostan-3-yl [ACD/Index Name]
(3S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-yl]oxy}oxane-2-carboxylic acid
3-α-androstanediol glucuronide
Androstane-3α,17β-diol 3-D-glucuronide
Androstane-3α,17β-diol 3-δ-glucuronide

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 218.8±25.0 °C
Index of Refraction: 1.598
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 347.6±5.0 cm3

Click to predict properties on the Chemicalize site






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