4-(4-Aminophenyl)-2-[4,7,10-Tris(Carboxymethyl)-1,4,7,10-Tetraazacyclododecan-1-Yl]Butanoic Acid

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Formula C24H37N5O8
IUPAC Name (2s)-4-(4-aminophenyl)-2-[(4s,10r)-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
Molecular Mass 523.579 g·mol−1
Heat of Formation -1380.1 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 616.06 Å 3
Surface Area 432.02 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey HQHVHMQCHASIHT-FQEVSTJZSA-N
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