ChemSpider 2D Image | (3beta,5beta,12beta)-3-[(6-Deoxy-beta-D-gulopyranosyl)oxy]-5,12,14,19-tetrahydroxycard-20(22)-enolide | C29H44O11

(3β,5β,12β)-3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5,12,14,19-tetrahydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O11
  • Average mass568.653 Da
  • Monoisotopic mass568.288391 Da
  • ChemSpider ID30820996

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5β,12β)-3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5,12,14,19-tetrahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,12β)-3-[(6-Desoxy-β-D-gulopyranosyl)oxy]-5,12,14,19-tetrahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,12β)-3-[(6-Désoxy-β-D-gulopyranosyl)oxy]-5,12,14,19-tétrahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-β-D-gulopyranosyl)oxy]-5,12,14,19-tetrahydroxy-, (3β,5β,12β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 801.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.7±6.0 kJ/mol
Flash Point: 261.0±27.8 °C
Index of Refraction: 1.642
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.02
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.02
Polar Surface Area: 186 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 386.9±5.0 cm3

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