ChemSpider 2D Image | (3beta,5beta)-3-(beta-D-Galactopyranosyloxy)-14-hydroxycard-20(22)-enolide | C29H44O9

(3β,5β)-3-(β-D-Galactopyranosyloxy)-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O9
  • Average mass536.654 Da
  • Monoisotopic mass536.298523 Da
  • ChemSpider ID9072063

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β)-3-(β-D-Galactopyranosyloxy)-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-(β-D-Galactopyranosyloxy)-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-(β-D-Galactopyranosyloxy)-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-(β-D-galactopyranosyloxy)-14-hydroxy-, (3β,5β)- [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: 735.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 239.3±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 100.41
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.39
ACD/KOC (pH 7.4): 100.41
Polar Surface Area: 146 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 392.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement