ChemSpider 2D Image | 5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-6-oxo-1a,9c-dihydro-2H,6H-oxireno[c]pyrano[2,3-f]chromen-7-yl hexopyranosiduronic acid | C26H24O13

5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-6-oxo-1a,9c-dihydro-2H,6H-oxireno[c]pyrano[2,3-f]chromen-7-yl hexopyranosiduronic acid

  • Molecular FormulaC26H24O13
  • Average mass544.461 Da
  • Monoisotopic mass544.121704 Da
  • ChemSpider ID74886651

More details:

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

2H,6H-Oxireno[d]benzo[1,2-b:3,4-b']dipyran-6-one, 7-(hexopyranuronosyloxy)-1a,9c-dihydro-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl- [ACD/Index Name]
5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-6-oxo-1a,9c-dihydro-2H,6H-oxireno[c]pyrano[2,3-f]chromen-7-yl hexopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-6-oxo-1a,9c-dihydro-2H,6H-oxireno[c]pyrano[2,3-f]chromen-7-ylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 5-hydroxy-8-(4-hydroxyphényl)-2,2-diméthyl-6-oxo-1a,9c-dihydro-2H,6H-oxiréno[c]pyrano[2,3-f]chromén-7-yle [French] [ACD/IUPAC Name]
3,4,5-trihydroxy-6-{[8-hydroxy-4-(4-hydroxyphenyl)-12,12-dimethyl-6-oxo-3,11,14-trioxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),4,8-tetraen-5-yl]oxy}oxane-2-carboxylic acid

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 867.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 295.4±27.8 °C
Index of Refraction: 1.758
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 108.8±5.0 dyne/cm
Molar Volume: 305.9±5.0 cm3

Click to predict properties on the Chemicalize site


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