ChemSpider 2D Image | (3β,5β)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C29H44O7

(3β,5β)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O7
  • Average mass504.655 Da
  • Monoisotopic mass504.308716 Da
  • ChemSpider ID10136111

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
(3β,5β)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
(5β)-3β-((2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
18404-43-8 [RN]
242-284-0 [EINECS]
Card-20(22)-enolide, 3-((2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3β,5β)-
Card-20(22)-enolide, 3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β)- [ACD/Index Name]
(5β)-3β-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 673.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 218.5±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.95
ACD/KOC (pH 5.5): 588.34
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.95
ACD/KOC (pH 7.4): 588.33
Polar Surface Area: 105 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 397.0±5.0 cm3

Click to predict properties on the Chemicalize site


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