2-{[5-Azido-2-Hydroxy-3-(~125~I)Iodobenzoyl]Amino}Ethyl 4-[(2,5-Dioxo-1-Pyrrolidinyl)Oxy]-4-Oxobutanoate

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Properties Simple | Detailed

Formula C17H16IN5O8
IUPAC Name o1-[2-[(5-azido-2-hydroxy-3-(125i)iodanyl-benzoyl)amino]ethyl] o4-(2,5-dioxopyrrolidin-1-yl) butanedioate
Molecular Mass 543.242 g·mol−1
Heat of Formation -794.6 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 495.75 Å 3
Surface Area 456.01 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(n-(2-hydroxy-5-azidobenzoyl)-2-aminoethyl)-4-(n-hydroxysuccinimidyl)succinate
  • butanoic acid, 4-((2,5-dioxo-1-pyrrolidinyl)oxy)-4-oxo-, 2-((5-azido-2-hydroxy-3-(iodo-125i)benzoyl)amino)ethyl ester
  • hahs
CAS Number(s)
  • 131483-43-7
InChIKey HATJHXCDGADERG-HGTLKWEASA-N
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