ChemSpider 2D Image | 3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycardanolide | C41H66O14

3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycardanolide

  • Molecular FormulaC41H66O14
  • Average mass782.954 Da
  • Monoisotopic mass782.445251 Da
  • ChemSpider ID83256

More details:

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

226-144-6 [EINECS]
3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-12,14-dihydroxycardanolide [ACD/IUPAC Name]
3-{[2,6-Didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl-(1->4)-2,6-didesoxyhexopyranosyl]oxy}-12,14-dihydroxycardanolid [German] [ACD/IUPAC Name]
3-{[2,6-Didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl-(1->4)-2,6-didésoxyhexopyranosyl]oxy}-12,14-dihydroxycardanolide [French] [ACD/IUPAC Name]
5297-10-9 [RN]
Cardanolide, 3-[[O--2,6-dideoxyhexopyranosyl-(1->4)-O--2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy]-12,14-dihydroxy- [ACD/Index Name]
20,22-Dihydrodigoxin
4-(3-{5-[5-(4,5-Dihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy}-12,14-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-dihydro-furan-2-one
Digoxin, dihydro- (6CI)
Dihydrodigoxin

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

BRN 1339019 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 924.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.5±6.0 kJ/mol
Flash Point: 275.4±27.8 °C
Index of Refraction: 1.594
Molar Refractivity: 196.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.51
ACD/KOC (pH 5.5): 132.97
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 132.97
Polar Surface Area: 203 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 579.8±5.0 cm3

Click to predict properties on the Chemicalize site


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