ChemSpider 2D Image | 4-[8-Benzyl-2-hydroperoxy-2-(4-iodobenzyl)-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolate | C26H21IN3O4

4-[8-Benzyl-2-hydroperoxy-2-(4-iodobenzyl)-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolate

  • Molecular FormulaC26H21IN3O4
  • Average mass566.368 Da
  • Monoisotopic mass566.058228 Da
  • ChemSpider ID21240324

  • Charge - Charge

More details:

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

4-[8-Benzyl-2-hydroperoxy-2-(4-iodbenzyl)-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolat [German] [ACD/IUPAC Name]
4-[8-Benzyl-2-hydroperoxy-2-(4-iodobenzyl)-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolate [ACD/IUPAC Name]
4-[8-Benzyl-2-hydroperoxy-2-(4-iodobenzyl)-3-oxo-2,3,7,8-tétrahydroimidazo[1,2-a]pyrazin-6-yl]phénolate [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyrazin-3(2H)-one, 7,8-dihydro-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-iodophenyl)methyl]-8-(phenylmethyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 708.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 382.1±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2459.10
ACD/KOC (pH 5.5): 9269.15
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1210.11
ACD/KOC (pH 7.4): 4561.31
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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