ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,17alpha)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-beta-D-erythro-hexopyranosyl]oxy}-12,14-dihydroxycard-20
(22)-enolide | C41H64O14

(8ξ,9ξ,10ξ,13ξ,14ξ,17α)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-β-D-erythro-hexopyranosyl]oxy}-12,14-dihydroxycard-20 (22)-enolide

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID21338194
  • defined stereocentres - 9 of 21 defined stereocentres


More details:






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

(8ξ,9ξ,10ξ,13ξ,14ξ,17α)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-β-D-erythro-hexopyranosyl]oxy}-12,14-dihydroxycard-20 (22)-enolide [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17α)-3-{[2,6-Didesoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-didesoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-didesoxy-β-D-erythro-hexopyranosyl]oxy}-12,14-dihydroxycard -20(22)-enolid [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17α)-3-{[2,6-Didésoxy-D-ribo-hexopyranosyl-(1->4)-(4ξ)-2,6-didésoxy-D-érythro-hexopyranosyl-(1->4)-(4ξ)-2,6-didésoxy-β-D-érythro-hexopyranosyl]oxy}-12,14-dihydroxycard -20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-O(4ξ)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4ξ)-2,6-dideoxy-β-D-erythro-hexopyranosyl]oxy]-12,14-dihydroxy-, (8ξ,9ξ,10ξ ,13ξ,14ξ,17α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 931.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.8±6.0 kJ/mol
Flash Point: 278.5±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 115.21
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 115.21
Polar Surface Area: 203 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

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