ChemSpider 2D Image | [(3-{[6-{[1-(8-Carboxy-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-1-yl)-2-methylbutyl]carbamoyl}tetrahydro-1(2H)-pyridazinyl]carbonyl}heptanoyl)amino]oxidanide | C26H42N6O6

[(3-{[6-{[1-(8-Carboxy-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-1-yl)-2-methylbutyl]carbamoyl}tetrahydro-1(2H)-pyridazinyl]carbonyl}heptanoyl)amino]oxidanide

  • Molecular FormulaC26H42N6O6
  • Average mass534.648 Da
  • Monoisotopic mass534.316589 Da
  • ChemSpider ID116838

More details:






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

[(3-{[6-{[1-(8-Carboxy-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-1-yl)-2-methylbutyl]carbamoyl}tetrahydro-1(2H)-pyridazinyl]carbonyl}heptanoyl)amino]oxidanid [German] [ACD/IUPAC Name]
[(3-{[6-{[1-(8-Carboxy-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-1-yl)-2-methylbutyl]carbamoyl}tetrahydro-1(2H)-pyridazinyl]carbonyl}heptanoyl)amino]oxidanide [ACD/IUPAC Name]
[(3-{[6-{[1-(8-Carboxy-5,6,7,8-tétrahydropyrazolo[1,2-a]pyridazin-4-ium-1-yl)-2-méthylbutyl]carbamoyl}tétrahydro-1(2H)-pyridazinyl]carbonyl}heptanoyl)amino]oxydanide [French] [ACD/IUPAC Name]
Pyrazolo[1,2-a]pyridazin-4-ium, 8-carboxy-1-[1-[[[hexahydro-2-[2-[2-(hydroxyamino)-2-oxoethyl]-1-oxohexyl]-3-pyridazinyl]carbonyl]amino]-2-methylbutyl]-5,6,7,8-tetrahydro-, inner salt [ACD/Index Name]
1-[1-({2-[2-BUTYL-3-(OXIDOCARBAMOYL)PROPANOYL]-1,2-DIAZINAN-3-YL}FORMAMIDO)-2-METHYLBUTYL]-8-CARBOXY-5H,6H,7H,8H-4??-PYRAZOLO[1,2-A]PYRIDAZIN-4-YLIUM
140638-26-2 [RN]
Matlystatin E
Pyrazolo(1,2-a)pyridazin-4-ium, 8-carboxy-1-(1-(((hexahydro-2-(2-(2-(hydroxyamino)-2-oxoethyl)-1-oxohexyl)-3-pyridazinyl)carbonyl)amino)-2-methylbutyl)-5,6,7,8-tetrahydro-, hydroxide, inner salt

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.03
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 160 Å2
Polarizability:
Surface Tension:
Molar Volume:

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