ChemSpider 2D Image | (1beta,3beta,5beta,8xi,9xi,11alpha)-3-[(6-Deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide | C29H44O12

(1β,3β,5β,8ξ,9ξ,11α)-3-[(6-Deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O12
  • Average mass584.653 Da
  • Monoisotopic mass584.283264 Da
  • ChemSpider ID22912850

  • defined stereocentres - 13 of 15 defined stereocentres

More details:

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

(1β,3β,5β,8ξ,9ξ,11α)-3-[(6-Deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3β,5β,8ξ,9ξ,11α)-3-[(6-Desoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3β,5β,8ξ,9ξ,11α)-3-[(6-Désoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,8ξ,9ξ,11α)- [ACD/Index Name]
3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
6251-64-5 [RN]
Acolonifloroside K
BRD-A68558664-001-01-8
NCGC00180829-02C29H44O12Card-20(22)-enolide, 3-[(6-deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,8ξ,9ξ,11α)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 838.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.6±6.0 kJ/mol
Flash Point: 272.9±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 207 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 384.7±5.0 cm3

Click to predict properties on the Chemicalize site


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