Found 13 results

Search term: C44H68O17 (Found by molecular formula)
ChemSpider 2D Image | (3beta,5beta,8xi,9xi,16beta)-16-Acetoxy-3-{[beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide | C44H68O17

(3β,5β,8ξ,9ξ,16β)-16-Acetoxy-3-{[β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC44H68O17
  • Average mass869.000 Da
  • Monoisotopic mass868.445679 Da
  • ChemSpider ID24534544

  • defined stereocentres - 20 of 22 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,16β)-16-Acetoxy-3-{[β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->;4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid ; e [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,16β)-16-Acetoxy-3-{[β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->;4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
(3β,5β,8ξ,9ξ,16β)-16-Acetoxy-3-{[β-D-glucopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enol ; id [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,16β)-16-Acétoxy-3-{[β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-énol ; ide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 16-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β,5β,8x i,9ξ,16β)- [ACD/Index Name]
card-20(22)-enolide, 16-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β,5β,8ξ,9ξ,16β)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 950.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.9±6.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction: 1.595
Molar Refractivity: 213.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.43
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 64.43
Polar Surface Area: 239 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 629.2±5.0 cm3

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