ChemSpider 2D Image | 16-Acetoxy-3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide | C44H68O19

16-Acetoxy-3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC44H68O19
  • Average mass900.999 Da
  • Monoisotopic mass900.435486 Da
  • ChemSpider ID22370150

More details:

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

16-Acetoxy-3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
16-Acetoxy-3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-didesoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
16-Acétoxy-3-{[hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthylhexopyranosyl]oxy}-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 16-(acetyloxy)-3-[[O-hexopyranosyl-(1->6)-O-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-14-hydroxy- [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: 996.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.7±6.0 kJ/mol
Flash Point: 290.0±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 216.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.92
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.92
Polar Surface Area: 279 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 624.1±5.0 cm3

Click to predict properties on the Chemicalize site


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