ChemSpider 2D Image | [(3-{2-[(2S)-2-Butanyl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)amino](imino)methanaminium | C22H28N7O

[(3-{2-[(2S)-2-Butanyl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)amino](imino)methanaminium

  • Molecular FormulaC22H28N7O
  • Average mass406.504 Da
  • Monoisotopic mass406.234985 Da
  • ChemSpider ID26331003

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3-{2-[(2S)-2-Butanyl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)amino](imino)methanaminium [German] [ACD/IUPAC Name]
[(3-{2-[(2S)-2-Butanyl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)amino](imino)methanaminium [ACD/IUPAC Name]
[(3-{2-[(2S)-2-Butanyl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)amino](imino)méthanaminium [French] [ACD/IUPAC Name]
Guanidine, N-[3-[3,7-dihydro-6-(1H-indol-3-yl)-2-[(1S)-1-methylpropyl]-3-oxoimidazo[1,2-a]pyrazin-8-yl]propyl]-, conjugate monoacid [ACD/Index Name]
1-(3-{6-(1H-indol-3-yl)-2-[(2S)-butan-2-yl]-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)guanidinium
Cypridina luciferin
Cypridina luciferin cation
Cypridina luciferin(1+)

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

Density:
Boiling Point: 598.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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