Found 1 result

Search term: DQMISKWZRFJSGS-OGLMXYFKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl N~6~-hydroxy-N~2~-{[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N~6~-[(2E)-2-octadecenoyl]lysinate | C44H69N5O10

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

  • Molecular FormulaC44H69N5O10
  • Average mass828.046 Da
  • Monoisotopic mass827.504456 Da
  • ChemSpider ID30791097

  • 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-hydroxy-N2-{[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-[(2E)-2-octadecenoyl]lysinate [ACD/IUPAC Name]
4-[(1-Hydroxy-2-oxo-3-azepanyl)amino]-4-oxo-2-butanyl-N6-hydroxy-N2-{[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-[(2E)-2-octadecenoyl]lysinat [German] [ACD/IUPAC Name]
Lysine, N2-[[4,5-dihydro-2-(2-hydroxyphenyl)-4-oxazolyl]carbonyl]-N6-hydroxy-N6-[(2E)-1-oxo-2-octadecen-1-yl]-, 3-[(hexahydro-1-hydroxy-2-oxo-1H-azepin-3-yl)amino]-1-methyl-3-oxopropyl ester [ACD/Index Name]
N6-Hydroxy-N2-{[2-(2-hydroxyphényl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-N6-[(2E)-2-octadecenoyl]lysinate de 4-[(1-hydroxy-2-oxo-3-azépanyl)amino]-4-oxo-2-butanyle [French] [ACD/IUPAC Name]
26769-11-9 [RN]
Mycobactin S

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

C12216 [DBID]

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: 1.575
Molar Refractivity: 224.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 4
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37618.32
ACD/KOC (pH 5.5): 65512.37
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 32179.54
ACD/KOC (pH 7.4): 56040.72
Polar Surface Area: 207 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 678.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement