ChemSpider 2D Image | I-COELENETERAZINE | C26H22IN3O4

I-COELENETERAZINE

  • Molecular FormulaC26H22IN3O4
  • Average mass567.375 Da
  • Monoisotopic mass567.065491 Da
  • ChemSpider ID26330217

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-8-Benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodbenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
(2R,8S)-8-Benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
(2R,8S)-8-Benzyl-2-hydroperoxy-6-(4-hydroxyphényl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
I-COELENETERAZINE
Imidazo[1,2-a]pyrazin-3(2H)-one, 7,8-dihydro-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-iodophenyl)methyl]-8-(phenylmethyl)-, (2R,8S)- [ACD/Index Name]
(2R,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-iodophenyl)methyl]-2H,3H,7H,8H-imidazo[1,2-a]pyrazin-3-one

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

Density: 1.6±0.1 g/cm3
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: 1.711
Molar Refractivity: 136.8±0.5 cm3
#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: 94 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 349.6±7.0 cm3

Click to predict properties on the Chemicalize site


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