ChemSpider 2D Image | 4-({3-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-5-methoxy-2,4,6-trimethylbenzoyl}oxy)-6-hydroxy-2,3-dimethylbenzoic acid | C28H28O10

4-({3-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-5-methoxy-2,4,6-trimethylbenzoyl}oxy)-6-hydroxy-2,3-dimethylbenzoic acid

  • Molecular FormulaC28H28O10
  • Average mass524.516 Da
  • Monoisotopic mass524.168274 Da
  • ChemSpider ID8159880

More details:

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

4-({3-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-5-methoxy-2,4,6-trimethylbenzoyl}oxy)-6-hydroxy-2,3-dimethylbenzoesäure [German] [ACD/IUPAC Name]
4-({3-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-5-methoxy-2,4,6-trimethylbenzoyl}oxy)-6-hydroxy-2,3-dimethylbenzoic acid [ACD/IUPAC Name]
Acide 4-({3-[(2,4-dihydroxy-6-méthylbenzoyl)oxy]-5-méthoxy-2,4,6-triméthylbenzoyl}oxy)-6-hydroxy-2,3-diméthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-5-methoxy-2,4,6-trimethyl-, 4-carboxy-5-hydroxy-2,3-dimethylphenyl ester [ACD/Index Name]
colletotric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485776/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 269.7±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 178.47
ACD/KOC (pH 5.5): 184.34
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 78.64
ACD/KOC (pH 7.4): 81.22
Polar Surface Area: 160 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

Click to predict properties on the Chemicalize site


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