ChemSpider 2D Image | 4-Carboxy-3-hydroxy-5-pentylphenyl 2,4-dihydroxy-6-pentylbenzoate | C24H30O7

4-Carboxy-3-hydroxy-5-pentylphenyl 2,4-dihydroxy-6-pentylbenzoate

  • Molecular FormulaC24H30O7
  • Average mass430.491 Da
  • Monoisotopic mass430.199158 Da
  • ChemSpider ID31104179

More details:

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

4-[(2,4-Dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-pentylbenzoesäure [German] [ACD/IUPAC Name]
4-[(2,4-Dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-pentylbenzoic acid [ACD/IUPAC Name]
4-Carboxy-3-hydroxy-5-pentylphenyl 2,4-dihydroxy-6-pentylbenzoate
641-68-9 [RN]
Acide 4-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-hydroxy-6-pentyl- [ACD/Index Name]
4-(2,4-dihydroxy-6-pentylbenzoyl)oxy-2-hydroxy-6-pentylbenzoic acid
Anziaic acid
Benzoic acid, 2,4-dihydroxy-6-pentyl-, 4-carboxy-3-hydroxy-5-pentylphenyl ester (anziaic acid)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 625.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 210.5±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 117.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 913.32
ACD/KOC (pH 5.5): 626.75
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 419.04
ACD/KOC (pH 7.4): 287.56
Polar Surface Area: 124 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 345.3±3.0 cm3

Click to predict properties on the Chemicalize site


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