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

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

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID57262508
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(3β,5α,17β)-3-Hydroxyandrostan-17-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5α,17β)-3-Hydroxyandrostan-17-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3β,5α,17β)-3-hydroxyandrostan-17-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3β,5α,17β)-3-hydroxyandrostan-17-yl [ACD/Index Name]
3β-hydroxy-5α-androstan-17β-yl β-D-glucopyranosiduronic acid
5α-ANDROSTAN-3β,17β-DIOL-17-GLUCURONIDE
5α-androstane 3β,17β-diol 17-O-glucuronide
5α-androstane-3β,17β-diol 17-glucuronide
5α-androstane-3β,17β-diol 17-O-(β-D-glucuronide)
5α-androstane-3β,17β-diol 17-β-D-glucuronide
More...
  • Miscellaneous
    • Chemical Class:

      A steroid glucosiduronic acid that is 5<stereo>alpha</stereo>-androstane-3<stereo>beta</stereo>,17<stereo>beta</stereo>-diol having a single <stereo>beta</stereo>-<stereo>D</stereo>-glucuronic acid re sidue attached at position 17. ChEBI CHEBI:138022
      A steroid glucosiduronic acid that is 5alpha-androstane-3beta,17beta-diol having a single beta-D-glucuronic acid re; sidue attached at position 17. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138022
      A steroid glucosiduronic acid that is 5alpha-androstane-3beta,17beta-diol having a single beta-D-glucuronic acid residue attached at position 17. ChEBI CHEBI:138022

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

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): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
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

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