ChemSpider 2D Image | (3beta,5beta)-3-[(6-Deoxy-2,3-di-O-methyl-beta-D-galactopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C31H46O10

(3β,5β)-3-[(6-Deoxy-2,3-di-O-methyl-β-D-galactopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC31H46O10
  • Average mass578.691 Da
  • Monoisotopic mass578.309082 Da
  • ChemSpider ID19988714

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β)-3-[(6-Deoxy-2,3-di-O-methyl-β-D-galactopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(6-Desoxy-2,3-di-O-methyl-β-D-galactopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(6-Désoxy-2,3-di-O-méthyl-β-D-galactopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-((6-deoxy-2,3-di-O-methyl-β-D-galactopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3β,5β)-
Card-20(22)-enolide, 3-[(6-deoxy-2,3-di-O-methyl-β-D-galactopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
(1S,2S,5S,7S,10R,11S,14R,15R)-7,11-dihydroxy-5-{[(2R,3R,4S,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.02,7.011,15]heptadecane-2-carbaldehyde
3β-O-(d-2-O-methyldigitalosyl)-5β,14β-dihydroxy-19-oxo-card-20(22)-enolide
59015-79-1 [RN]
strebloside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 234.2±26.4 °C
Index of Refraction: 1.584
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.26
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.26
Polar Surface Area: 141 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 438.3±5.0 cm3

Click to predict properties on the Chemicalize site


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