ChemSpider 2D Image | 2-(2-{6-[(11-Isobutyl-14-methyl-5,9,12,15-tetraoxotetradecahydro-7H-pyridazino[6,1-c][1,4,7,10]oxatriazacyclotridecin-8-yl)carbamoyl]-5,6-dihydro-1(4H)-pyridazinyl}-2-oxoethyl)heptanoate | C31H48N7O9

2-(2-{6-[(11-Isobutyl-14-methyl-5,9,12,15-tetraoxotetradecahydro-7H-pyridazino[6,1-c][1,4,7,10]oxatriazacyclotridecin-8-yl)carbamoyl]-5,6-dihydro-1(4H)-pyridazinyl}-2-oxoethyl)heptanoate

  • Molecular FormulaC31H48N7O9
  • Average mass662.755 Da
  • Monoisotopic mass662.351929 Da
  • ChemSpider ID21434644

  • Charge - Charge

More details:

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

1(4H)-Pyridazinebutanoato, 5,6-dihydro-γ-oxo-α-pentyl-6-[[[tetradecahydro-14-methyl-11-(2-methylpropyl)-5,9,12,15-tetraoxo-7H-pyridazino[6,1-c][1,4,7,10]oxatriazacyclotridecin-8-yl]amino]carbo nyl]-, ion(1-) [ACD/Index Name]
2-(2-{6-[(11-Isobutyl-14-methyl-5,9,12,15-tetraoxotetradecahydro-7H-pyridazino[6,1-c][1,4,7,10]oxatriazacyclotridecin-8-yl)carbamoyl]-5,6-dihydro-1(4H)-pyridazinyl}-2-oxoethyl)heptanoat [German] [ACD/IUPAC Name]
2-(2-{6-[(11-Isobutyl-14-methyl-5,9,12,15-tetraoxotetradecahydro-7H-pyridazino[6,1-c][1,4,7,10]oxatriazacyclotridecin-8-yl)carbamoyl]-5,6-dihydro-1(4H)-pyridazinyl}-2-oxoethyl)heptanoate [ACD/IUPAC Name]
2-(2-{6-[(11-Isobutyl-14-méthyl-5,9,12,15-tétraoxotétradécahydro-7H-pyridazino[6,1-c][1,4,7,10]oxatriazacyclotridécin-8-yl)carbamoyl]-5,6-dihydro-1(4H)-pyridazinyl}-2-oxoéthyl)heptanoate [French] [ACD/IUPAC Name]

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: 16
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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