ChemSpider 2D Image | (3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl](oxido)amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}(oxido)amino]-3-methyl-5-oxo-3-penten-1-yl N~2~-acetyl-N~5~-[(2E)-5-hydroxy-3-methyl- 2-pentenoyl]-N~5~-oxido-L-ornithinate | C35H53N6O13

(3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl](oxido)amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}(oxido)amino]-3-methyl-5-oxo-3-penten-1-yl N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl- 2-pentenoyl]-N5-oxido-L-ornithinate

  • Molecular FormulaC35H53N6O13
  • Average mass765.829 Da
  • Monoisotopic mass765.368713 Da
  • ChemSpider ID34448692

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl](oxido)amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}(oxido)amino]-3-methyl-5-oxo-3-penten-1-yl N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl- 2-pentenoyl]-N5-oxido-L-ornithinate [ACD/IUPAC Name]
(3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl](oxido)amino}propyl)-3,6-dioxo-2-piperazinyl]propyl}(oxido)amino]-3-methyl-5-oxo-3-penten-1-yl-N2-acetyl-N5-[(2E)-5-hydroxy-3-methyl- 2-pentenoyl]-N5-oxido-L-ornithinat [German] [ACD/IUPAC Name]
L-Ornithine, N2-acetyl-N5-hydroxy-N5-[(2E)-5-hydroxy-3-methyl-1-oxo-2-penten-1-yl]-, (3E)-5-[hydroxy[3-[(2S,5S)-5-[3-[hydroxy[(2E)-5-hydroxy-3-methyl-1-oxo-2-penten-1-yl]amino]propyl]-3,6-dioxo- 
2-piperazinyl]propyl]amino]-3-methyl-5-oxo-3-penten-1-yl ester, ion(3-) [ACD/Index Name]
N2-Acétyl-N5-[(2E)-5-hydroxy-3-méthyl-2-pentenoyl]-N5-oxydo-L-ornithinate de (3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-méthyl-2-pentenoyl](oxydo)amino}propyl)-3,6-dioxo-2-pipérazinyl]propyl}(o xydo)amino]-3-méthyl-5-oxo-3-pentén-1-yle [French] [ACD/IUPAC Name]
(3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-methylpent-2-enoyl](oxido)amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}(oxido)amino]-3-methyl-5-oxopent-3-en-1-yl N(2)-acetyl-N(5)-[(2E)-5-hydroxy-3-methylp
(3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-methylpent-2-enoyl](oxido)amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}(oxido)amino]-3-methyl-5-oxopent-3-en-1-yl N(2)-acetyl-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-N(5)-oxido-L-ornithinate
desferricoprogen(3-)
ent-2-enoyl]-N(5)-oxido-L-ornithinate
  • Miscellaneous

    • Chemical Class:

      A hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen. ChEBI CHEBI:83127

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: 19
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 284 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement