ChemSpider 2D Image | (8xi,14xi,17alpha,19E)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-pyridinylmethyl)imino]card-20(22)-enolide | C36H50N2O8

(8ξ,14ξ,17α,19E)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-pyridinylmethyl)imino]card-20(22)-enolide

  • Molecular FormulaC36H50N2O8
  • Average mass638.791 Da
  • Monoisotopic mass638.356689 Da
  • ChemSpider ID17472802

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 12 defined stereocentres

More details:

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

(8ξ,14ξ,17α,19E)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-pyridinylmethyl)imino]card-20(22)-enolide [ACD/IUPAC Name]
(8ξ,14ξ,17α,19E)-3-[(2,6-Didesoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-pyridinylmethyl)imino]card-20(22)-enolid [German] [ACD/IUPAC Name]
(8ξ,14ξ,17α,19E)-3-[(2,6-Didésoxy-3-O-méthylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-pyridinylméthyl)imino]card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-pyridinylmethyl)imino]-, (8ξ,14ξ,17α,19E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 814.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.4±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 167.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 7.51
ACD/KOC (pH 5.5): 122.16
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.37
ACD/KOC (pH 7.4): 233.69
Polar Surface Area: 140 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 454.6±7.0 cm3

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