ChemSpider 2D Image | (3beta,5beta,7beta,11beta)-3-[(2-Deoxy-beta-D-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide | C29H40O11

(3β,5β,7β,11β)-3-[(2-Deoxy-β-D-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide

  • Molecular FormulaC29H40O11
  • Average mass564.621 Da
  • Monoisotopic mass564.257080 Da
  • ChemSpider ID19994312
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,5β,7β,11β)-3-[(2-Deoxy-β-D-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,7β,11β)-3-[(2-Desoxy-β-D-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,7β,11β)-3-[(2-Désoxy-β-D-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-((2-deoxy-β-D-arabino-hexopyranosyl)oxy)-7,8-epoxy-11,14-dihydroxy-12-oxo-, (3β,5β,7β,11β)-
Card-20(22)-enolide, 3-[(2-deoxy-β-D-arabino-hexopyranosyl)oxy]-7,8-epoxy-11,14-dihydroxy-12-oxo-, (3β,5β,7β,11β)- [ACD/Index Name]
111420-57-6 [RN]
Cryptosin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 831.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.5±6.0 kJ/mol
Flash Point: 274.5±27.8 °C
Index of Refraction: 1.645
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.96
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.96
Polar Surface Area: 176 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 376.3±5.0 cm3

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