ChemSpider 2D Image | (3beta,5beta,8xi,9xi)-3-{[4-O-(beta-D-Allopyranosyl)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide | C36H54O14

(3β,5β,8ξ,9ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC36H54O14
  • Average mass710.806 Da
  • Monoisotopic mass710.351379 Da
  • ChemSpider ID8072205

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ)-3-{[4-O-(β-D-Allopyranosyl)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-O-β-D-allopyranosyl-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β,8ξ,9ξ)- [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: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.8±6.0 kJ/mol
Flash Point: 270.1±27.8 °C
Index of Refraction: 1.614
Molar Refractivity: 174.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.81
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.81
Polar Surface Area: 211 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 499.5±5.0 cm3

Click to predict properties on the Chemicalize site


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