ChemSpider 2D Image | Digitoxigenin bisdigitoxoside | C35H54O10

Digitoxigenin bisdigitoxoside

  • Molecular FormulaC35H54O10
  • Average mass634.797 Da
  • Monoisotopic mass634.371704 Da
  • ChemSpider ID19957756

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β,5β)-3-{[2,6-Dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[2,6-Didesoxy-4-O-(2,6-didesoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[2,6-Didésoxy-4-O-(2,6-didésoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
16479-50-8 [RN]
3β-((2,6-Dideoxy-4-O-(2,6-dideoxy-β-D -ribo-hexopyranosyl)-β-D -ribo-hexopyranosyl)oxy)-14-hydroxy-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]-14-hydroxy-, (3β,5β)- [ACD/Index Name]
Digitoxigenin bisdigitoxoside
Card-20(22)-enolide, 3-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β,5β)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 794.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±6.0 kJ/mol
Flash Point: 246.6±26.4 °C
Index of Refraction: 1.591
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 59.24
ACD/KOC (pH 5.5): 646.29
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 59.24
ACD/KOC (pH 7.4): 646.29
Polar Surface Area: 144 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 486.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement