ChemSpider 2D Image | 1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydrohexitol | C14H18O9

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydrohexitol

  • Molecular FormulaC14H18O9
  • Average mass330.287 Da
  • Monoisotopic mass330.095093 Da
  • ChemSpider ID35014975

More details:

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

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydrohexitol [German] [ACD/IUPAC Name]
1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydrohexitol [ACD/IUPAC Name]
1-(3-Acétyl-2,4,6-trihydroxyphényl)-1,5-anhydrohexitol [French] [ACD/IUPAC Name]
Hexitol, 1-C-(3-acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro- [ACD/Index Name]
1-(3-Glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone, 9CI
1-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethanone
2-((1-Methylpropyl)amino)ethanol
2-Acetyl-4-b-D-glucopyranosyl-1,3,5-benzenetriol
3'-Glucosyl-2',4',6'-trihydroxyacetophenone

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

Density: 1.7±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 208.4±23.6 °C
Index of Refraction: 1.691
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.73
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.23
Polar Surface Area: 168 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 198.0±3.0 cm3

Click to predict properties on the Chemicalize site


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