ChemSpider 2D Image | 3-[(2,6-Dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C35H52O14

3-[(2,6-Dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC35H52O14
  • Average mass696.779 Da
  • Monoisotopic mass696.335693 Da
  • ChemSpider ID2823445

More details:

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

13289-20-8 [RN]
230-381-0 [EINECS]
236-304-7 [EINECS]
3-[(2,6-Dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
3-[(2,6-Didesoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
3-[(2,6-Didésoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
7082-34-0 [RN]
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-hexopyranosylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo- [ACD/Index Name]
(3β,5β)-3-[(2,6-dideoxy-4-O-β-D\-glucopyranosyl-β-D\-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3β,5β)-3-[(2,6-dideoxy-4--O-β-D\-glucopyranosyl-β-D\-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 908.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.9±6.0 kJ/mol
Flash Point: 283.0±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.57
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.57
Polar Surface Area: 222 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 474.8±5.0 cm3

Click to predict properties on the Chemicalize site


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