ChemSpider 2D Image | 6-O-alpha-D-Glucopyranosyl-1-O-[(3beta,5xi,18alpha)-3,19,23-trihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose | C42H68O15

6-O-α-D-Glucopyranosyl-1-O-[(3β,5ξ,18α)-3,19,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC42H68O15
  • Average mass812.980 Da
  • Monoisotopic mass812.455811 Da
  • ChemSpider ID8254650

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

6-O-α-D-Glucopyranosyl-1-O-[(3β,5ξ,18α)-3,19,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-1-O-[(3β,5ξ,18α)-3,19,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-1-O-[(3β,5ξ,18α)-3,19,23-trihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-α-D-glucopyranosyl-1-O-[(3β,5ξ,18α)-3,19,23-trihydroxy-28-oxours-12-en-28-yl]- [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: 916.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.2±6.0 kJ/mol
Flash Point: 268.6±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 204.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.09
ACD/KOC (pH 5.5): 514.30
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.09
ACD/KOC (pH 7.4): 514.30
Polar Surface Area: 256 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 577.5±5.0 cm3

Click to predict properties on the Chemicalize site


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