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Search term: 78443668 (Found by CSID)
ChemSpider 2D Image | 4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl N~6~-[(7Z)-7-hexadecenoyl]-N~6~-hydroxy-N~2~-{[2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}lysinate | C43H67N5O10

4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl N6-[(7Z)-7-hexadecenoyl]-N6-hydroxy-N2-{[2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}lysinate

  • Molecular FormulaC43H67N5O10
  • Average mass814.020 Da
  • Monoisotopic mass813.488770 Da
  • ChemSpider ID78443668

  • Double-bond stereo - Double-bond stereo

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 N6-[(7Z)-7-hexadecenoyl]-N6-hydroxy-N2-{[2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}lysinate [ACD/IUPAC Name]
4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl-N6-[(7Z)-7-hexadecenoyl]-N6-hydroxy-N2-{[2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}lysinat [German] [ACD/IUPAC Name]
Lysine, N2-[[4,5-dihydro-2-(2-hydroxyphenyl)-4-methyl-4-oxazolyl]carbonyl]-N6-hydroxy-N6-[(7Z)-1-oxo-7-hexadecen-1-yl]-, 3-[(hexahydro-1-hydroxy-2-oxo-1H-azepin-3-yl)amino]-1-methyl-3-oxopropyl 
ester [ACD/Index Name]
N6-[(7Z)-7-Hexadecenoyl]-N6-hydroxy-N2-{[2-(2-hydroxyphényl)-4-méthyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}lysinate de 4-[(1-hydroxy-2-oxo-3-azépanyl)amino]-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
BE-32030C

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: 1.573
Molar Refractivity: 219.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5109.02
ACD/KOC (pH 5.5): 15695.29
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4457.81
ACD/KOC (pH 7.4): 13694.71
Polar Surface Area: 207 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 666.7±7.0 cm3

Click to predict properties on the Chemicalize site


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