ChemSpider 2D Image | (3β,5β)-3-[(6-Deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C29H42O10

(3β,5β)-3-[(6-Deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC29H42O10
  • Average mass550.638 Da
  • Monoisotopic mass550.277771 Da
  • ChemSpider ID23311739

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β)-3-[(6-Deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3β,5β)-3-[(6-Deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(6-Desoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(6-Désoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
73208-83-0 [RN]
Card-20(22)-enolide, 3-[(6-deoxy-β-D-glucopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
3-O-β-D-quinovopyranosylstrophanthidin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 247.1±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.42
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.42
Polar Surface Area: 163 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 388.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement