ChemSpider 2D Image | 3-{[2,6-Dideoxy-4-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide | C42H66O14

3-{[2,6-Dideoxy-4-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC42H66O14
  • Average mass794.965 Da
  • Monoisotopic mass794.445251 Da
  • ChemSpider ID4022

More details:

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

3-{[2,6-Dideoxy-4-O-methylhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
3-{[2,6-Didesoxy-4-O-methylhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
3-{[2,6-Didésoxy-4-O-méthylhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O--2,6-dideoxy-4-O-methylhexopyranosyl-(1->4)-O--2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy]-12,14-dihydroxy- [ACD/Index Name]
30685-43-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 914.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.9±6.0 kJ/mol
Flash Point: 270.5±27.8 °C
Index of Refraction: 1.589
Molar Refractivity: 201.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.08
ACD/KOC (pH 5.5): 231.14
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 231.14
Polar Surface Area: 192 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 597.0±5.0 cm3

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