ChemSpider 2D Image | 4-[(1S)-1-(4-Hydroxy-2-isopropyl-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-5-isopropyl-2-methylphenyl phosphate | C28H29O7P

4-[(1S)-1-(4-Hydroxy-2-isopropyl-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-5-isopropyl-2-methylphenyl phosphate

  • Molecular FormulaC28H29O7P
  • Average mass508.500 Da
  • Monoisotopic mass508.166199 Da
  • ChemSpider ID5884097

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1(3H)-Isobenzofuranone, 3-[4-hydroxy-5-methyl-2-(1-methylethyl)phenyl]-3-[5-methyl-2-(1-methylethyl)-4-(phosphonooxy)phenyl]-, ion(2-), (3S)- [ACD/Index Name]
4-[(1S)-1-(4-Hydroxy-2-isopropyl-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-5-isopropyl-2-methylphenyl phosphate [ACD/IUPAC Name]
4-[(1S)-1-(4-Hydroxy-2-isopropyl-5-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-5-isopropyl-2-methylphenylphosphat [German] [ACD/IUPAC Name]
Phosphate de 4-[(1S)-1-(4-hydroxy-2-isopropyl-5-méthylphényl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-5-isopropyl-2-méthylphényle [French] [ACD/IUPAC Name]
123359-43-3 [RN]

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

ZINC05224764 [DBID]

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

Density:
Boiling Point: 683.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.1±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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