ChemSpider 2D Image | (11alpha)-11-Acetoxy-3-[(2,4-di-O-acetyl-6-deoxy-3-O-methyl-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C36H52O12

(11α)-11-Acetoxy-3-[(2,4-di-O-acetyl-6-deoxy-3-O-methyl-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC36H52O12
  • Average mass676.791 Da
  • Monoisotopic mass676.345886 Da
  • ChemSpider ID22903910

  • defined stereocentres - 3 of 14 defined stereocentres

More details:

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

(11α)-11-Acetoxy-3-[(2,4-di-O-acetyl-6-deoxy-3-O-methyl-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(11α)-11-Acetoxy-3-[(2,4-di-O-acetyl-6-desoxy-3-O-methyl-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(11α)-11-Acétoxy-3-[(2,4-di-O-acétyl-6-désoxy-3-O-méthyl-L-mannopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 11-(acetyloxy)-3-[(2,4-di-O-acetyl-6-deoxy-3-O-methyl-L-mannopyranosyl)oxy]-14-hydroxy-, (11α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 221.0±26.4 °C
Index of Refraction: 1.555
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 142.01
ACD/KOC (pH 5.5): 1208.51
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 142.01
ACD/KOC (pH 7.4): 1208.51
Polar Surface Area: 153 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 530.0±5.0 cm3

Click to predict properties on the Chemicalize site


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