ChemSpider 2D Image | (8xi,14xi,17alpha,19E)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide | C32H49NO9

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

  • Molecular FormulaC32H49NO9
  • Average mass591.733 Da
  • Monoisotopic mass591.340759 Da
  • ChemSpider ID17472757

  • 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-[(2-hydroxyethyl)imino]card-20(22)-enolide [ACD/IUPAC Name]
(8ξ,14ξ,17α,19E)-3-[(2,6-Didesoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-hydroxyethyl)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-[(2-hydroxyéthyl)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-[(2-hydroxyethyl)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: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.0±6.0 kJ/mol
Flash Point: 424.2±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.99
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 60.65
Polar Surface Area: 147 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 411.6±7.0 cm3

Click to predict properties on the Chemicalize site


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