ChemSpider 2D Image | 1-O-[(3beta,5xi,9xi)-28-Oxo-3-{[3-O-(beta-D-xylopyranosyl)-beta-D-glucopyranuronosyl]oxy}olean-12-en-28-yl]-beta-D-glucopyranose | C47H74O18

1-O-[(3β,5ξ,9ξ)-28-Oxo-3-{[3-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-28-yl]-β-D-glucopyranose

  • Molecular FormulaC47H74O18
  • Average mass927.080 Da
  • Monoisotopic mass926.487488 Da
  • ChemSpider ID8186629

  • defined stereocentres - 20 of 22 defined stereocentres

More details:

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

1-O-[(3β,5ξ,9ξ)-28-Oxo-3-{[3-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-28-Oxo-3-{[3-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β,5ξ,9ξ)-28-Oxo-3-{[3-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}oléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β,5ξ,9ξ)-28-oxo-3-[(3-O-β-D-xylopyranosyl-β-D-glucopyranuronosyl)oxy]olean-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: 996.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.7±6.0 kJ/mol
Flash Point: 284.8±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 228.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 27.69
ACD/KOC (pH 5.5): 63.51
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 6.56
Polar Surface Area: 292 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 648.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement