ChemSpider 2D Image | (1S,5xi)-1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-xylo-hexitol | C19H22O9

(1S,5ξ)-1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-xylo-hexitol

  • Molecular FormulaC19H22O9
  • Average mass394.373 Da
  • Monoisotopic mass394.126373 Da
  • ChemSpider ID57641880
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1S,5ξ)-1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-xylo-hexitol [German] [ACD/IUPAC Name]
(1S,5ξ)-1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-xylo-hexitol [ACD/IUPAC Name]
(1S,5ξ)-1,5-Anhydro-1-[7-hydroxy-5-méthyl-4-oxo-2-(2-oxopropyl)-4H-chromén-8-yl]-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,5-anhydro-1-C-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1S,5ξ)- [ACD/Index Name]
30861-27-9 [RN]
Aloeresin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
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: 1.637
Molar Refractivity: 94.3±0.3 cm3
#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: 154 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

Click to predict properties on the Chemicalize site






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