ChemSpider 2D Image | M826 | C28H45N7O6

M826

  • Molecular FormulaC28H45N7O6
  • Average mass575.700 Da
  • Monoisotopic mass575.343140 Da
  • ChemSpider ID8026847

More details:

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

5-[Hexyl(methyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-5-(2-methyl-2-propanyl)-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoic acid [ACD/IUPAC Name]
5-[Hexyl(methyl)amino]-3-({2-[3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-5-(2-methyl-2-propanyl)-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[hexyl(méthyl)amino]-3-({2-[3-{[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}-5-(2-méthyl-2-propanyl)-2-oxo-1(2H)-pyrazinyl]butanoyl}amino)-4-oxopentanoïque [French] [ACD/IUPAC Name]
M826
Pentanoic acid, 3-[[2-[5-(1,1-dimethylethyl)-3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-2-oxo-1(2H)-pyrazinyl]-1-oxobutyl]amino]-5-(hexylmethylamino)-4-oxo- [ACD/Index Name]
3-[2-[5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]butanoylamino]-5-(hexyl-methylamino)-4-oxopentanoic acid
compound 4sx

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 170 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 462.8±7.0 cm3

Click to predict properties on the Chemicalize site


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