ChemSpider 2D Image | 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-beta-D-threo-hexopyranuronosyl-beta-D-threo-hexopyranosiduronic acid | C27H26O18

5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-threo-hexopyranuronosyl-β-D-threo-hexopyranosiduronic acid

  • Molecular FormulaC27H26O18
  • Average mass638.484 Da
  • Monoisotopic mass638.111938 Da
  • ChemSpider ID24844069

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(2-O-β-D-threo-hexopyranuronosyl-β-D-threo-hexopyranuronosyl)oxy]-5,6-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-threo-hexopyranuronosyl-β-D-threo-hexopyranosiduronic acid [ACD/IUPAC Name]
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-β-D-threo-hexopyranuronosyl-β-D-threo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-thréo-hexopyranuronosyl-β-D-thréo-hexopyranosiduronique de 5,6-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1100.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.4±3.0 kJ/mol
Flash Point: 362.5±27.8 °C
Index of Refraction: 1.789
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -6.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 142.2±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


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