ChemSpider 2D Image | (3beta,5beta,11alpha)-11-Acetoxy-3-[(4-O-acetyl-6-deoxy-3-O-methyl-beta-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C34H48O13

(3β,5β,11α)-11-Acetoxy-3-[(4-O-acetyl-6-deoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC34H48O13
  • Average mass664.737 Da
  • Monoisotopic mass664.309509 Da
  • ChemSpider ID62497449

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5β,11α)-11-Acetoxy-3-[(4-O-acetyl-6-deoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,11α)-11-Acetoxy-3-[(4-O-acetyl-6-desoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,11α)-11-Acétoxy-3-[(4-O-acétyl-6-désoxy-3-O-méthyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β,9β,11α,14α)-11-Acetoxy-3-[(4-O-acetyl-6-deoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,9β,11α,14α)-11-Acetoxy-3-[(4-O-acetyl-6-desoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,9β,11α,14α)-11-Acétoxy-3-[(4-O-acétyl-6-désoxy-3-O-méthyl-β-D-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-O-acetyl-6-deoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-11-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3β,5β,11α)- [ACD/Index Name]
Card-20(22)-enolide, 3-[(4-O-acetyl-6-deoxy-3-O-methyl-β-D-mannopyranosyl)oxy]-11-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3β,5β,9β,11α,14α)- [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: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.8±6.0 kJ/mol
Flash Point: 242.2±26.4 °C
Index of Refraction: 1.583
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 59.11
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.10
ACD/KOC (pH 7.4): 59.11
Polar Surface Area: 184 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 486.4±5.0 cm3

Click to predict properties on the Chemicalize site


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