ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[3-benzoyl-6-(beta-D-glucopyranosyloxy)-2,4-dihydroxy-5-methylphenyl]-D-glucitol | C26H32O14

(1S)-1,5-Anhydro-1-[3-benzoyl-6-(β-D-glucopyranosyloxy)-2,4-dihydroxy-5-methylphenyl]-D-glucitol

  • Molecular FormulaC26H32O14
  • Average mass568.524 Da
  • Monoisotopic mass568.179199 Da
  • ChemSpider ID8568620

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[3-benzoyl-6-(β-D-glucopyranosyloxy)-2,4-dihydroxy-5-methylphenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3-benzoyl-6-(β-D-glucopyranosyloxy)-2,4-dihydroxy-5-methylphenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[3-benzoyl-6-(β-D-glucopyranosyloxy)-2,4-dihydroxy-5-méthylphényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[3-benzoyl-6-(β-D-glucopyranosyloxy)-2,4-dihydroxy-5-methylphenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 819.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 272.0±27.8 °C
Index of Refraction: 1.694
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.24
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.49
Polar Surface Area: 247 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 349.5±3.0 cm3

Click to predict properties on the Chemicalize site


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