ChemSpider 2D Image | (3beta,5alpha)-3-[(6-Deoxy-beta-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C29H44O8

(3β,5α)-3-[(6-Deoxy-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID157844

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α)-3-[(6-Deoxy-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α)-3-[(6-Desoxy-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α)-3-[(6-Désoxy-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-β-D-galactopyranosyl)oxy]-14-hydroxy-, (3β,5α)- [ACD/Index Name]
63977-35-5 [RN]
Card-20(22)-enolide, 3-((6-deoxy-β-D-galactopyranosyl)oxy)-14-hydroxy-, (3β,5α)-
Desgluco-cheiroside A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 225.4±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.59
ACD/KOC (pH 5.5): 412.13
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.59
ACD/KOC (pH 7.4): 412.13
Polar Surface Area: 126 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

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