ChemSpider 2D Image | Digotab | C43H66O15

Digotab

  • Molecular FormulaC43H66O15
  • Average mass822.975 Da
  • Monoisotopic mass822.440186 Da
  • ChemSpider ID8525936

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3b,5b,12b)-3-((O-4-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
(3β,5β,12β)-3-{[4-O-Acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enol
 ide [ACD/IUPAC Name]
(3β,5β,12β)-3-{[4-O-Acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
(3β,5β,12β)-3-{[4-O-Acetyl-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-e
 nolid [German] [ACD/IUPAC Name]
(3β,5β,12β)-3-{[4-O-Acétyl-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-é
 nolide [French] [ACD/IUPAC Name]
?-acetyldigoxin
16'-Acetyldigoxin
226-337-5 [EINECS]
4'''-Acetyldigoxin
5355-48-6 [RN]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 930.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.5±6.0 kJ/mol
Flash Point: 273.6±27.8 °C
Index of Refraction: 1.591
Molar Refractivity: 206.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.92
ACD/KOC (pH 5.5): 240.88
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.92
ACD/KOC (pH 7.4): 240.88
Polar Surface Area: 209 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 609.7±5.0 cm3

Click to predict properties on the Chemicalize site


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