ChemSpider 2D Image | (3beta,5beta,14xi)-3-{[4-O-Acetyl-2,6-dideoxy-alpha-D-ribo-hexopyranosyl-(1->4)-[2,6-dideoxy-alpha-D-ribo-hexopyranosyl-(1->3)]-2,6-dideoxy-alpha-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid e | C43H66O14

(3β,5β,14ξ)-3-{[4-O-Acetyl-2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)-[2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->3)]-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid e

  • Molecular FormulaC43H66O14
  • Average mass806.976 Da
  • Monoisotopic mass806.445251 Da
  • ChemSpider ID2299464

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

(3β,5β,14ξ)-3-{[4-O-Acetyl-2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)-[2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->;3)]-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid
 e [ACD/IUPAC Name]
(3β,5β,14ξ)-3-{[4-O-Acetyl-2,6-didesoxy-α-D-ribo-hexopyranosyl-(1->4)-[2,6-didesoxy-α-D-ribo-hexopyranosyl-(1->3)]-2,6-didesoxy-α-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-eno
 lid [German] [ACD/IUPAC Name]
(3β,5β,14ξ)-3-{[4-O-Acétyl-2,6-didésoxy-α-D-ribo-hexopyranosyl-(1->4)-[2,6-didésoxy-α-D-ribo-hexopyranosyl-(1->3)]-2,6-didésoxy-α-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-éno
 lide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-4-O-acetyl-2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)-O-[2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->3)]-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β,5b η,14ξ)- [ACD/Index Name]
246-942-8 [EINECS]
3-((O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide monoacetate, (3β,5β)-
Card-20(22)-enolide, 3-((O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, monoacetate, (3β,5β)-
Digitoxin, monoacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 888.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.7±6.0 kJ/mol
Flash Point: 260.5±27.8 °C
Index of Refraction: 1.583
Molar Refractivity: 204.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.14
ACD/KOC (pH 5.5): 1046.48
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.14
ACD/KOC (pH 7.4): 1046.48
Polar Surface Area: 189 Å2
Polarizability: 81.1±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 612.0±5.0 cm3

Click to predict properties on the Chemicalize site


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