ChemSpider 2D Image | 3-[(4-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C32H48O9

3-[(4-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID281317

More details:

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

3-[(4-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
3-[(4-O-Acetyl-6-desoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
3-[(4-O-Acétyl-6-désoxy-3-O-méthylhexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-O-acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy- [ACD/Index Name]

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

NSC251674 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.91
ACD/KOC (pH 5.5): 690.04
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.91
ACD/KOC (pH 7.4): 690.04
Polar Surface Area: 121 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 457.2±5.0 cm3

Click to predict properties on the Chemicalize site


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