ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,9xi,11alpha)-3-[(6-Deoxy-3-O-methyl-alpha-L-glycero-hexopyranosyl)oxy]-11,14-dihydroxy-7,8-epoxycard-20(22)-enolide | C30H44O10

(3α,5β,7α,8ξ,9ξ,11α)-3-[(6-Deoxy-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-11,14-dihydroxy-7,8-epoxycard-20(22)-enolide

  • Molecular FormulaC30H44O10
  • Average mass564.664 Da
  • Monoisotopic mass564.293457 Da
  • ChemSpider ID10141810

  • defined stereocentres - 10 of 15 defined stereocentres

More details:

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

(3α,5β,7α,8ξ,9ξ,11α)-3-[(6-Deoxy-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-11,14-dihydroxy-7,8-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(3α,5β,7α,8ξ,9ξ,11α)-3-[(6-Desoxy-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-11,14-dihydroxy-7,8-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,9ξ,11α)-3-[(6-Désoxy-3-O-méthyl-α-L-glycéro-hexopyranosyl)oxy]-11,14-dihydroxy-7,8-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-α-L-glycero-hexopyranosyl)oxy]-7,8-epoxy-11,14-dihydroxy-, (3α,5β,7α,8ξ,9ξ,11α)- [ACD/Index Name]
101418-19-3 [RN]
5-β-CARD-20(22)-ENOLIDE, 3-β-((6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY)-
5-β-Card-20(22)-enolide, 3-β-((6-deoxy-3-O-methyl-D-galactopyranosyl)oxy)-7-β,8-epoxy-11-α,14-hydroxy-
Panstrosid [German]
Panstroside
Sarverogenin-β,D-digitalosid [German]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 251.0±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 97.68
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.23
ACD/KOC (pH 7.4): 97.68
Polar Surface Area: 147 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 405.0±5.0 cm3

Click to predict properties on the Chemicalize site


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