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Search term: 78444186 (Found by CSID)
ChemSpider 2D Image | 4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl N~2~-{[2-(2,3-dihydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N~6~-dodecanoyl-N~6~-hydroxylysinate | C39H61N5O11

4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl N2-{[2-(2,3-dihydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-dodecanoyl-N6-hydroxylysinate

  • Molecular FormulaC39H61N5O11
  • Average mass775.929 Da
  • Monoisotopic mass775.436768 Da
  • ChemSpider ID78444186

More details:

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

4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl N2-{[2-(2,3-dihydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-dodecanoyl-N6-hydroxylysinate [ACD/IUPAC Name]
4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl-N2-{[2-(2,3-dihydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-dodecanoyl-N6-hydroxylysinat [German] [ACD/IUPAC Name]
Lysine, N2-[[2-(2,3-dihydroxyphenyl)-4,5-dihydro-4-methyl-4-oxazolyl]carbonyl]-N6-hydroxy-N6-(1-oxododecyl)-, 3-[(hexahydro-1-hydroxy-2-oxo-1H-azepin-3-yl)amino]-1-methyl-3-oxopropyl ester [ACD/Index Name]
N2-{[2-(2,3-Dihydroxyphényl)-4-méthyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-dodecanoyl-N6-hydroxylysinate de 4-[(1-hydroxy-2-oxo-3-azépanyl)amino]-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
BE-32030D

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 202.1±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.15
ACD/KOC (pH 5.5): 2410.60
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 348.27
ACD/KOC (pH 7.4): 2249.89
Polar Surface Area: 228 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 599.9±7.0 cm3

Click to predict properties on the Chemicalize site


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