ChemSpider 2D Image | 4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl (3xi)-beta-D-ribo-hexopyranosiduronic acid | C26H22O10

4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl (3ξ)-β-D-ribo-hexopyranosiduronic acid

  • Molecular FormulaC26H22O10
  • Average mass494.447 Da
  • Monoisotopic mass494.121307 Da
  • ChemSpider ID82827143

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1(3H)-Isobenzofuranone, 3-[4-[(3ξ)-β-D-ribo-hexopyranuronosyloxy]phenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl (3ξ)-β-D-ribo-hexopyranosiduronic acid [ACD/IUPAC Name]
4-[1-(4-Hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phenyl-(3ξ)-β-D-ribo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (3ξ)-β-D-ribo-hexopyranosiduronique de 4-[1-(4-hydroxyphényl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]phényle [French] [ACD/IUPAC Name]
15265-26-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 804.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction: 1.709
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 85.9±3.0 dyne/cm
Molar Volume: 312.1±3.0 cm3

Click to predict properties on the Chemicalize site


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