ChemSpider 2D Image | (1S,2xi)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-arabino-hexitol | C19H18O11

(1S,2ξ)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-arabino-hexitol

  • Molecular FormulaC19H18O11
  • Average mass422.340 Da
  • Monoisotopic mass422.084900 Da
  • ChemSpider ID26324398
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1S,2ξ)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1S,2ξ)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-arabino-hexitol [ACD/IUPAC Name]
(1S,2ξ)-1,5-Anhydro-1-(1,3,6,7-tétrahydroxy-9-oxo-9H-xanthén-2-yl)-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Heξtol, 1,5-anhydro-1-C-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-, (1S,2ξ)- [ACD/Index Name]
Mangiferin [Wiki]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 842.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 303.6±27.8 °C
Index of Refraction: 1.789
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.29
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 119.9±3.0 dyne/cm
Molar Volume: 229.1±3.0 cm3

Click to predict properties on the Chemicalize site






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