ChemSpider 2D Image | 2,3,4,6-Tetra-O-acetyl-1-O-[2-(4-isobutylphenyl)propanoyl]-beta-D-glucopyranose | C27H36O11

2,3,4,6-Tetra-O-acetyl-1-O-[2-(4-isobutylphenyl)propanoyl]-β-D-glucopyranose

  • Molecular FormulaC27H36O11
  • Average mass536.568 Da
  • Monoisotopic mass536.225769 Da
  • ChemSpider ID10002260

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2,3,4,6-Tetra-O-acetyl-1-O-[2-(4-isobutylphenyl)propanoyl]-β-D-glucopyranose [ACD/IUPAC Name]
2,3,4,6-Tetra-O-acetyl-1-O-[2-(4-isobutylphenyl)propanoyl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-1-O-[2-(4-isobutylphényl)propanoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2,3,4,6-tetraacetate 1-[2-[4-(2-methylpropyl)phenyl]propanoate] [ACD/Index Name]
(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
87906-13-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 240.5±30.2 °C
Index of Refraction: 1.519
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2408.09
ACD/KOC (pH 5.5): 9166.37
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2408.09
ACD/KOC (pH 7.4): 9166.37
Polar Surface Area: 141 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 437.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement