ChemSpider 2D Image | DIGOXIGENIN BISDIGITOXOSIDE | C35H54O11

DIGOXIGENIN BISDIGITOXOSIDE

  • Molecular FormulaC35H54O11
  • Average mass650.797 Da
  • Monoisotopic mass650.366638 Da
  • ChemSpider ID83952

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5β,12β)-3-((2,6-Dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
(3β,5β,12β)-3-{[2,6-Dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,12β)-3-{[2,6-Didesoxy-4-O-(2,6-didesoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,12β)-3-{[2,6-Didésoxy-4-O-(2,6-didésoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
3β-((2,6-Dideoxy-4-O-(2,6-dideoxy-β-D -ribo-hexopyranosyl)-β-D -ribo-hexopyranosyl)oxy)-12β,14-dihydroxy-5β-card-20(22)-enolide
Card-20(22)-enolide, 3-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3β,5β,12β)- [ACD/Index Name]
Digoxigenin bis-digitoxiside
DIGOXIGENIN BISDIGITOXOSIDE
Digoxigenin bis-digitoxose
Digoxigenin-bis(digitoxoside)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 826.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.6±6.0 kJ/mol
Flash Point: 256.9±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.02
ACD/KOC (pH 5.5): 125.74
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.02
ACD/KOC (pH 7.4): 125.74
Polar Surface Area: 164 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 483.8±5.0 cm3

Click to predict properties on the Chemicalize site


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