ChemSpider 2D Image | CP-COELENETERAZINE | C25H27N3O5

CP-COELENETERAZINE

  • Molecular FormulaC25H27N3O5
  • Average mass449.499 Da
  • Monoisotopic mass449.195068 Da
  • ChemSpider ID26330159

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,8S)-8-(Cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
(2R,8S)-8-(Cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
(2R,8S)-8-(Cyclopentylméthyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphényl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
CP-COELENETERAZINE
Imidazo[1,2-a]pyrazin-3(2H)-one, 8-(cyclopentylmethyl)-7,8-dihydro-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-, (2R,8S)- [ACD/Index Name]
(2R,8S)-8-(cyclopentylmethyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)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: 1.4±0.1 g/cm3
Boiling Point: 698.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.5±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.95
ACD/KOC (pH 5.5): 2839.10
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 284.28
ACD/KOC (pH 7.4): 1717.41
Polar Surface Area: 115 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 313.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement