ChemSpider 2D Image | 5-Hydroxy-4-[3-oxo-3-(2,4,5-trimethoxyphenyl)propanoyl]-1,3-phenylene bis(2,4,5-trimethoxybenzoate) | C38H38O16

5-Hydroxy-4-[3-oxo-3-(2,4,5-trimethoxyphenyl)propanoyl]-1,3-phenylene bis(2,4,5-trimethoxybenzoate)

  • Molecular FormulaC38H38O16
  • Average mass750.699 Da
  • Monoisotopic mass750.216003 Da
  • ChemSpider ID9193290

More details:

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

5-Hydroxy-4-[3-oxo-3-(2,4,5-trimethoxyphenyl)propanoyl]-1,3-phenylen-bis(2,4,5-trimethoxybenzoat) [German] [ACD/IUPAC Name]
5-Hydroxy-4-[3-oxo-3-(2,4,5-trimethoxyphenyl)propanoyl]-1,3-phenylene bis(2,4,5-trimethoxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 2,4,5-trimethoxy-, 4-[1,3-dioxo-3-(2,4,5-trimethoxyphenyl)propyl]-5-hydroxy-1,3-phenylene ester [ACD/Index Name]
Bis(2,4,5-triméthoxybenzoate) de 5-hydroxy-4-[3-oxo-3-(2,4,5-triméthoxyphényl)propanoyl]-1,3-phénylène [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 917.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 281.2±27.8 °C
Index of Refraction: 1.575
Molar Refractivity: 191.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 8438.84
ACD/KOC (pH 5.5): 20539.40
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 383.43
ACD/KOC (pH 7.4): 933.24
Polar Surface Area: 190 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 578.2±3.0 cm3

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