ChemSpider 2D Image | (3beta,5beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide | C42H66O16

(3β,5β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC42H66O16
  • Average mass826.964 Da
  • Monoisotopic mass826.435059 Da
  • ChemSpider ID8186264

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(3β,5β)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[6-Desoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[6-Désoxy-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy]-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: 942.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.6±6.0 kJ/mol
Flash Point: 278.2±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 204.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.25
ACD/KOC (pH 5.5): 244.67
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.25
ACD/KOC (pH 7.4): 244.67
Polar Surface Area: 233 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 591.9±5.0 cm3

Click to predict properties on the Chemicalize site


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