ChemSpider 2D Image | Imino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}-2-pyrazinyl]propyl}amino)methanaminium | C21H28N7O

Imino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}-2-pyrazinyl]propyl}amino)methanaminium

  • Molecular FormulaC21H28N7O
  • Average mass394.493 Da
  • Monoisotopic mass394.234985 Da
  • ChemSpider ID26331020

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, N-[3-[3-[(aminoiminomethyl)amino]propyl]-5-(1H-indol-3-yl)-2-pyrazinyl]-2-methyl-, conjugate monoacid, (2S)- [ACD/Index Name]
Imino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}-2-pyrazinyl]propyl}amino)methanaminium [German] [ACD/IUPAC Name]
Imino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}-2-pyrazinyl]propyl}amino)methanaminium [ACD/IUPAC Name]
Imino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-méthylbutanoyl]amino}-2-pyrazinyl]propyl}amino)méthanaminium [French] [ACD/IUPAC Name]
amino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}pyrazin-2-yl]propyl}amino)methaniminium
oxidised Cypridina luciferin cation
oxidized Cypridina luciferin
oxidized Cypridina luciferin cation
oxidized Cypridina luciferin(1+)
  • Miscellaneous

    • Chemical Class:

      The conjugate acid of oxidized Cypridina luciferin arising from selective protonation of the guanidino group; major species at pH 7.3. ChEBI CHEBI:58059

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.03
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

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