ChemSpider 2D Image | 3-{[2,6-Dideoxy-3,4-O-isopropylidenehexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide | C44H68O13

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

  • Molecular FormulaC44H68O13
  • Average mass805.003 Da
  • Monoisotopic mass804.466003 Da
  • ChemSpider ID171273

More details:

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

3-{[2,6-Dideoxy-3,4-O-isopropylidenehexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
3-{[2,6-Didésoxy-3,4-O-isopropylidènehexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
3-{[2,6-Didesoxy-3,4-O-isopropylidenhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O--2,6-dideoxy-3,4-O-(1-methylethylidene)hexopyranosyl-(1->4)-O--2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy]-14-hydroxy- [ACD/Index Name]
231-690-3 [EINECS]
7685-48-5 [RN]
Mono-O-isopropylidene digitoxin
O-Isopropylidene digitoxin

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 207.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 853.67
ACD/KOC (pH 5.5): 4363.32
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 853.66
ACD/KOC (pH 7.4): 4363.31
Polar Surface Area: 161 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 621.6±5.0 cm3

Click to predict properties on the Chemicalize site


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