ChemSpider 2D Image | 2-(5-Carbamimidoyl-2-hydroxyphenoxy)-4-(3-carboxy-1-piperidinyl)-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium | C28H27F2N6O5

2-(5-Carbamimidoyl-2-hydroxyphenoxy)-4-(3-carboxy-1-piperidinyl)-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium

  • Molecular FormulaC28H27F2N6O5
  • Average mass565.547 Da
  • Monoisotopic mass565.200562 Da
  • ChemSpider ID21542325

  • Charge - Charge

More details:

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

2-(5-Carbamimidoyl-2-hydroxyphenoxy)-4-(3-carboxy-1-piperidinyl)-3,5-difluor-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium [German] [ACD/IUPAC Name]
2-(5-Carbamimidoyl-2-hydroxyphenoxy)-4-(3-carboxy-1-piperidinyl)-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium [ACD/IUPAC Name]
2-(5-Carbamimidoyl-2-hydroxyphénoxy)-4-(3-carboxy-1-pipéridinyl)-3,5-difluoro-6-[3-(1-méthyl-1H-imidazol-2-yl)phénoxy]pyridinium [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[5-(aminoiminomethyl)-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]-4-pyridinyl]-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 726.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.3±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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