ChemSpider 2D Image | 4-O-Hexopyranosyl-1-O-[(3beta,5xi,9xi)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]hexopyranose | C48H76O21

4-O-Hexopyranosyl-1-O-[(3β,5ξ,9ξ)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]hexopyranose

  • Molecular FormulaC48H76O21
  • Average mass989.104 Da
  • Monoisotopic mass988.487915 Da
  • ChemSpider ID22943477

  • defined stereocentres - 6 of 23 defined stereocentres

More details:

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

4-O-Hexopyranosyl-1-O-[(3β,5ξ,9ξ)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]hexopyranose [ACD/IUPAC Name]
4-O-Hexopyranosyl-1-O-[(3β,5ξ,9ξ)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxoolean-12-en-28-yl]hexopyranose [German] [ACD/IUPAC Name]
4-O-Hexopyranosyl-1-O-[(3β,5ξ,9ξ)-3-(hexopyranuronosyloxy)-23,24-dihydroxy-28-oxooléan-12-én-28-yl]hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 4-O-hexopyranosyl-1-O-[(3β,5ξ,9ξ)-3-(hexopyranuronosyloxy)-23,24-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: 1.5±0.1 g/cm3
Boiling Point: 1079.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 179.1±6.0 kJ/mol
Flash Point: 307.0±27.8 °C
Index of Refraction: 1.645
Molar Refractivity: 237.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 85.1±5.0 dyne/cm
Molar Volume: 656.5±5.0 cm3

Click to predict properties on the Chemicalize site


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