ChemSpider 2D Image | 1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]phenyl}hexitol | C21H24O10

1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]phenyl}hexitol

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID11553634

More details:

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

1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]phenyl}hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]phenyl}hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-{2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphényl)propanoyl]phényl}hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-[2,6-dihydroxy-3-[3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropyl]phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 834.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 293.6±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.41
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.47
Polar Surface Area: 188 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 87.7±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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