ChemSpider 2D Image | (3beta,5beta,8xi,9xi,11alpha)-3-[(2,6-Dideoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide | C30H46O8

(3β,5β,8ξ,9ξ,11α)-3-[(2,6-Dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID48344

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,11α)-3-[(2,6-Dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,11α)-3-[(2,6-Didesoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,11α)-3-[(2,6-Didésoxy-3-O-méthyl-α-D-glycéro-hexopyranosyl)oxy]-11,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-α-D-glycero-hexopyranosyl)oxy]-11,14-dihydroxy-, (3β,5β,8ξ,9ξ,11α)- [ACD/Index Name]
76704-78-4 [RN]
Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-α-L-lyxo-hexopyranosyl)oxy)-11,14-dihydroxy-, (3-β,5-β,11-α)-
Divostroside
Sarmentogenin-L-diginosid [German]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 223.4±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 140.05
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 140.04
Polar Surface Area: 115 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 419.6±5.0 cm3

Click to predict properties on the Chemicalize site


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