ChemSpider 2D Image | (3alpha,5alpha,8xi,9xi,10alpha,13alpha,14alpha,16alpha,17alpha)-3-{[2,6-Dideoxy-beta-L-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-beta-L-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-beta-L-ribo-hexopyranosyl]ox y}-14,16-dihydroxycard-20(22)-enolide | C41H64O14

(3α,5α,8ξ,9ξ,10α,13α,14α,16α,17α)-3-{[2,6-Dideoxy-β-L-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-β-L-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-β-L-ribo-hexopyranosyl]ox y}-14,16-dihydroxycard-20(22)-enolide

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID113600665

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3α,5α,8ξ,9ξ,10α,13α,14α,16α,17α)-3-{[2,6-Dideoxy-β-L-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-β-L-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-β-L-ribo-hexopyranosyl]ox ; y}-14,16-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3α,5α,8ξ,9ξ,10α,13α,14α,16α,17α)-3-{[2,6-Didesoxy-β-L-ribo-hexopyranosyl-(1->3)-[2,6-didesoxy-β-L-ribo-hexopyranosyl-(1->4)]-2,6-didesoxy-β-L-ribo-hexopyranosyl ; ]oxy}-14,16-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5α,8ξ,9ξ,10α,13α,14α,16α,17α)-3-{[2,6-Didésoxy-β-L-ribo-hexopyranosyl-(1->3)-[2,6-didésoxy-β-L-ribo-hexopyranosyl-(1->4)]-2,6-didésoxy-β-L-ribo-hexopyranosyl ; ]oxy}-14,16-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-β-L-ribo-hexopyranosyl-(1->3)-O-[2,6-dideoxy-β-L-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-β-L-ribo-hexopyranosyl]oxy]-14,16-dihydroxy-, (3α,5α,8ξ
 ,9ξ,10α,13α,14α,16α,17α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 913.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.7±6.0 kJ/mol
Flash Point: 272.3±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: 1.48
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 120.47
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 120.47
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

Click to predict properties on the Chemicalize site


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