ChemSpider 2D Image | (3beta,5beta,8xi,9xi)-3-(beta-D-glycero-Hexopyranosyloxy)-5,14,19-trihydroxycard-20(22)-enolide | C29H44O11

(3β,5β,8ξ,9ξ)-3-(β-D-glycero-Hexopyranosyloxy)-5,14,19-trihydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O11
  • Average mass568.653 Da
  • Monoisotopic mass568.288391 Da
  • ChemSpider ID25946

  • defined stereocentres - 8 of 13 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ)-3-(β-D-glycero-Hexopyranosyloxy)-5,14,19-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-(β-D-glycero-Hexopyranosyloxy)-5,14,19-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-(β-D-glycéro-Hexopyranosyloxy)-5,14,19-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-(β-D-glycero-hexopyranosyloxy)-5,14,19-trihydroxy-, (3β,5β,8ξ,9ξ)- [ACD/Index Name]
16479-53-1 [RN]
3-β-((Glucopyranosyl)oxy)-5,14,19-trihydroxy-5-β-card-20(22)-enolide
4-18-00-03095 [Beilstein]
5-β-Card-20(22)-enolide, 3-β-((D-glucopyranosyl)oxy)-5,14,19-trihydroxy-
Strophanthidol-D-glucose

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

BRN 0071908 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 807.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 263.1±27.8 °C
Index of Refraction: 1.643
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.95
Polar Surface Area: 186 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site


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