ChemSpider 2D Image | 1-O-[(3beta)-23-Hydroxy-23,28-dioxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose | C41H64O14

1-O-[(3β)-23-Hydroxy-23,28-dioxo-3-(β-D-xylopyranosyloxy)olean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID8732585
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

1-O-[(3β)-23-Hydroxy-23,28-dioxo-3-(β-D-xylopyranosyloxy)olean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-23-Hydroxy-23,28-dioxo-3-(β-D-xylopyranosyloxy)olean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-23-Hydroxy-23,28-dioxo-3-(β-D-xylopyranosyloxy)oléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β)-23-hydroxy-23,28-dioxo-3-(β-D-xylopyranosyloxy)olean-12-en-28-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 871.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.8±6.0 kJ/mol
Flash Point: 257.0±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 196.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 341.79
ACD/KOC (pH 5.5): 1051.31
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 16.92
Polar Surface Area: 233 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 562.7±5.0 cm3

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