ChemSpider 2D Image | (8xi,14xi,17alpha)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide | C30H43NO8

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

  • Molecular FormulaC30H43NO8
  • Average mass545.664 Da
  • Monoisotopic mass545.298889 Da
  • ChemSpider ID17472592

  • defined stereocentres - 4 of 12 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 404.3±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 54.97
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 54.97
Polar Surface Area: 138 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 412.3±5.0 cm3

Click to predict properties on the Chemicalize site


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