ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi,18xi)-24-Hydroxy-29-oxo-3-{[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranuronosyl]oxy}olean-12-en-29-yl]-beta-D-glucopyranose | C47H74O19

1-O-[(3β,5ξ,9ξ,18ξ)-24-Hydroxy-29-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-29-yl]-β-D-glucopyranose

  • Molecular FormulaC47H74O19
  • Average mass943.079 Da
  • Monoisotopic mass942.482422 Da
  • ChemSpider ID9193650

  • defined stereocentres - 21 of 24 defined stereocentres

More details:

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

1-O-[(3β,5ξ,9ξ,18ξ)-24-Hydroxy-29-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-29-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ,18ξ)-24-Hydroxy-29-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-29-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ,18ξ)-24-Hydroxy-29-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}oléan-12-én-29-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ,18ξ)-24-hydroxy-29-oxo-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranuronosyl)oxy]olean-12-en-29-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1017.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.3±6.0 kJ/mol
Flash Point: 290.8±27.8 °C
Index of Refraction: 1.632
Molar Refractivity: 230.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 9.52
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 91.3±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 645.7±5.0 cm3

Click to predict properties on the Chemicalize site


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