ChemSpider 2D Image | Vernadigin | C30H44O10

Vernadigin

  • Molecular FormulaC30H44O10
  • Average mass564.664 Da
  • Monoisotopic mass564.293457 Da
  • ChemSpider ID390451

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β,16β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-3-[(2,6-Didesoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-lyxo-hexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-5,14,16-trihydroxy-19-oxo-, (3β,5β,16β)- [ACD/Index Name]
Vernadigin
Strophadogenin 3-O-β-D-diginoside
VERNADIGIN(7CI,8CI,9CI)

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

C08884 [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: 758.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 244.9±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.94
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.45
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.45
Polar Surface Area: 152 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 413.5±5.0 cm3

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