ChemSpider 2D Image | 1-O-[(2beta,3beta,5xi,9xi,18xi)-30-Acetoxy-3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose | C44H70O17

1-O-[(2β,3β,5ξ,9ξ,18ξ)-30-Acetoxy-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC44H70O17
  • Average mass871.016 Da
  • Monoisotopic mass870.461304 Da
  • ChemSpider ID8804828

  • defined stereocentres - 18 of 21 defined stereocentres

More details:

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

1-O-[(2β,3β,5ξ,9ξ,18ξ)-30-Acetoxy-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2β,3β,5ξ,9ξ,18ξ)-30-Acetoxy-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2β,3β,5ξ,9ξ,18ξ)-30-Acétoxy-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2β,3β,5ξ,9ξ,18ξ)-30-(acetyloxy)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-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: 938.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.8±6.0 kJ/mol
Flash Point: 270.8±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 215.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.67
ACD/KOC (pH 5.5): 467.08
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.67
ACD/KOC (pH 7.4): 467.08
Polar Surface Area: 283 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 611.9±5.0 cm3

Click to predict properties on the Chemicalize site


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