[(8Z)-10-(Hydroxy-Kappao)-10-[(Hydroxy-Kappao){(5S)-6-{[(2S)-4-Hydroxy-4-{[(3S)-1-(Hydroxy-Kappao)-2-Oxo-3-Azepanyl]Amino}-2-Butanyl]Oxy}-5-[({(4S)-2-[2-(Hydroxy-Kappao)Phenyl]-4,5-Dihydro-1,3-Oxazol-4-Yl}Carbonyl)Amino]-6-Oxohexyl}Amino]-8-Decenoato(4-)]Iron

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Properties Simple | Detailed

Formula C36H51FeN5O12
IUPAC Name [(8z)-10-(hydroxy-kappao)-10-[(hydroxy-kappao){(5s)-6-{[(2s)-4-hydroxy-4-{[(3s)-1-(hydroxy-kappao)-2-oxo-3-azepanyl]amino}-2-butanyl]oxy}-5-[({(4s)-2-[2-(hydroxy-kappao)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]-6-oxohexyl}amino]-8-decenoato(4-)]iron
Molecular Mass 801.661 g·mol−1
Heat of Formation -2126.9 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 873.47 Å 3
Surface Area 602.55 Å 2
HOMO Energy -7.90 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey FHVPNAZTTVYYAS-JWRBZTNNSA-M
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Elements H C Fe O N