ChemSpider 2D Image | (3beta,5alpha)-3-[(2,6-Dideoxy-beta-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide | C29H42O8

(3β,5α)-3-[(2,6-Dideoxy-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC29H42O8
  • Average mass518.639 Da
  • Monoisotopic mass518.287964 Da
  • ChemSpider ID23311660

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α)-3-[(2,6-Dideoxy-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α)-3-[(2,6-Didesoxy-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α)-3-[(2,6-Didésoxy-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-, (3β,5α)- [ACD/Index Name]
corotoxigenin 3-O-β-D-boivinoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 230.2±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.44
ACD/KOC (pH 5.5): 146.34
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.44
ACD/KOC (pH 7.4): 146.34
Polar Surface Area: 123 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 393.9±5.0 cm3

Click to predict properties on the Chemicalize site


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