ChemSpider 2D Image | 1-O-[(3beta,16alpha)-3-{[6-O-(alpha-L-Arabinopyranosyl)-beta-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-alpha-L-arabinopyranose | C46H74O17

1-O-[(3β,16α)-3-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose

  • Molecular FormulaC46H74O17
  • Average mass899.070 Da
  • Monoisotopic mass898.492615 Da
  • ChemSpider ID8638865

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

1-O-[(3β,16α)-3-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [ACD/IUPAC Name]
1-O-[(3β,16α)-3-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,16α)-3-{[6-O-(α-L-Arabinopyranosyl)-β-D-glucopyranosyl]oxy}-16-hydroxy-28-oxooléan-12-én-28-yl]-α-L-arabinopyranose [French] [ACD/IUPAC Name]
α-L-Arabinopyranose, 1-O-[(3β,16α)-3-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-16-hydroxy-28-oxoolean-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: 954.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.6±6.0 kJ/mol
Flash Point: 273.2±27.8 °C
Index of Refraction: 1.622
Molar Refractivity: 224.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 671.95
ACD/KOC (pH 5.5): 3673.92
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 671.94
ACD/KOC (pH 7.4): 3673.90
Polar Surface Area: 275 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 73.0±5.0 dyne/cm
Molar Volume: 636.0±5.0 cm3

Click to predict properties on the Chemicalize site


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