ChemSpider 2D Image | (3beta,5beta)-3-[(4-O-Acetyl-2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C32H46O10

(3β,5β)-3-[(4-O-Acetyl-2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC32H46O10
  • Average mass590.702 Da
  • Monoisotopic mass590.309082 Da
  • ChemSpider ID17463880

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(4-O-Acetyl-2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(4-O-Acetyl-2,6-didesoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(4-O-Acétyl-2,6-didésoxy-3-O-méthylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-O-acetyl-2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [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: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 226.2±26.4 °C
Index of Refraction: 1.575
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.02
ACD/KOC (pH 5.5): 110.43
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.02
ACD/KOC (pH 7.4): 110.43
Polar Surface Area: 138 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 453.3±5.0 cm3

Click to predict properties on the Chemicalize site


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