ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[5-methyl-7-oxido-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol | C19H21O9

(1S)-1,5-Anhydro-1-[5-methyl-7-oxido-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol

  • Molecular FormulaC19H21O9
  • Average mass393.365 Da
  • Monoisotopic mass393.119110 Da
  • ChemSpider ID128921077

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[5-méthyl-4-oxo-2-(2-oxopropyl)-7-oxydo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-methyl-7-oxido-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-methyl-7-oxido-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, ion(1-), (1S)- [ACD/Index Name]
aloesin

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

Density:
Boiling Point: 628.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 224.2±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.82
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 157 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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