ChemSpider 2D Image | (3alpha,5alpha,8alpha,9beta,10alpha,14alpha,17alpha)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-18,20-epoxycardanolide | C30H44O9

(3α,5α,8α,9β,10α,14α,17α)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-18,20-epoxycardanolide

  • Molecular FormulaC30H44O9
  • Average mass548.665 Da
  • Monoisotopic mass548.298523 Da
  • ChemSpider ID8545724

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,5α,8α,9β,10α,14α,17α)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-18,20-epoxycardanolide [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,14α,17α)-3-[(2,6-Didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-18,20-epoxycardanolid [German] [ACD/IUPAC Name]
(3α,5α,8α,9β,10α,14α,17α)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-18,20-époxycardanolide [French] [ACD/IUPAC Name]
Cardanolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-18,20-epoxy-14-hydroxy-19-oxo-, (3α,5α,8α,9β,10α,14α,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: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 239.9±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 72.40
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 72.40
Polar Surface Area: 121 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

Click to predict properties on the Chemicalize site


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