ChemSpider 2D Image | (3beta,5beta,14alpha)-3-(beta-D-Glucopyranosyloxy)card-20(22)-enolide | C29H44O8

(3β,5β,14α)-3-(β-D-Glucopyranosyloxy)card-20(22)-enolide

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID113590

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β,14α)-3-(β-D-Glucopyranosyloxy)card-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,14α)-3-(β-D-Glucopyranosyloxy)card-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,14α)-3-(β-D-Glucopyranosyloxy)card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-, (3β,5β,14α)- [ACD/Index Name]
102492-19-3 [RN]
14-Dehydroxy-3-glucodigitoxigenin
4-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-DIMETHYL-3-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-2,3,4,5,6,7,8,9,11,12,14 ,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]-5H-FURAN-2 -ONE
Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-, (3β,5β)-
Dig-3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 229.4±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.48
ACD/KOC (pH 5.5): 429.60
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.48
ACD/KOC (pH 7.4): 429.60
Polar Surface Area: 126 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 395.0±5.0 cm3

Click to predict properties on the Chemicalize site


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