ChemSpider 2D Image | (1S)-1,5-Anhydro-6-deoxy-1-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-6-yl]-D-galactitol | C27H30O13

(1S)-1,5-Anhydro-6-deoxy-1-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-6-yl]-D-galactitol

  • Molecular FormulaC27H30O13
  • Average mass562.519 Da
  • Monoisotopic mass562.168640 Da
  • ChemSpider ID9235926

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-6-deoxy-1-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-6-yl]-D-galactitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-6-desoxy-1-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-6-yl]-D-galactitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-6-désoxy-1-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-phényl-4H-chromén-6-yl]-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 1,5-anhydro-6-deoxy-1-C-[7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-6-yl]-, (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: 829.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.26
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 89.1±3.0 dyne/cm
Molar Volume: 348.0±3.0 cm3

Click to predict properties on the Chemicalize site


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