ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl methyl (5xi)-beta-D-lyxo-hexopyranosiduronate | C22H24O9

3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl methyl (5ξ)-β-D-lyxo-hexopyranosiduronate

  • Molecular FormulaC22H24O9
  • Average mass432.421 Da
  • Monoisotopic mass432.142029 Da
  • ChemSpider ID23976738

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl methyl (5ξ)-β-D-lyxo-hexopyranosiduronate [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl-methyl-(5ξ)-β-D-lyxo-hexopyranosiduronat [German] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranosiduronic acid, 3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl, methyl ester, (5ξ)- [ACD/Index Name]
849104-47-8 [RN]
Dihydro Ketoprofen β-D-Glucuronide, Mixture of Diastereomers

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

Density: 1.5±0.1 g/cm3
Boiling Point: 644.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 224.7±25.0 °C
Index of Refraction: 1.641
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 89.41
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 89.18
Polar Surface Area: 135 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 296.0±3.0 cm3

Click to predict properties on the Chemicalize site


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