ChemSpider 2D Image | (3beta,5beta,10xi,12beta)-3-[(6-Deoxy-2-O-methyl-beta-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide | C30H44O11

(3β,5β,10ξ,12β)-3-[(6-Deoxy-2-O-methyl-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC30H44O11
  • Average mass580.664 Da
  • Monoisotopic mass580.288391 Da
  • ChemSpider ID8206716

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,5β,10ξ,12β)-3-[(6-Deoxy-2-O-methyl-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,10ξ,12β)-3-[(6-Desoxy-2-O-methyl-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,10ξ,12β)-3-[(6-Désoxy-2-O-méthyl-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-2-O-methyl-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxo-, (3β,5β,10ξ,12β)- [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: 783.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 129.9±6.0 kJ/mol
Flash Point: 252.9±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.02
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.02
Polar Surface Area: 172 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement