ChemSpider 2D Image | 4-[(2-Carboxyphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-isopropyl-5-methylphenyl phosphate | C28H29O7P

4-[(2-Carboxyphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-isopropyl-5-methylphenyl phosphate

  • Molecular FormulaC28H29O7P
  • Average mass508.500 Da
  • Monoisotopic mass508.166199 Da
  • ChemSpider ID2857064

  • Charge - Charge

More details:

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

4-[(2-Carboxyphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-yliden)methyl]-2-isopropyl-5-methylphenylphosphat [German] [ACD/IUPAC Name]
4-[(2-Carboxyphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-isopropyl-5-methylphenyl phosphate [ACD/IUPAC Name]
Benzoic acid, 2-[[2-methyl-5-(1-methylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene][2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]methyl]-, ion(2-) [ACD/Index Name]
Phosphate de 4-[(2-carboxyphényl)(5-isopropyl-2-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]-2-isopropyl-5-méthylphényle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 732.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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