(2S,2'S)-3,3'-(5-{4-[(2S)-2-Amino-2-Carboxyethyl]Phenoxy}-6,6'-Dihydroxy-3,3'-Biphenyldiyl)Bis(2-Aminopropanoic Acid)

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Properties Simple | Detailed

Formula C27H29N3O9
IUPAC Name (2r)-2-amino-3-[4-[5-[(2s)-2-amino-2-carboxy-ethyl]-3-[5-[(2r)-2-amino-2-carboxy-ethyl]-2-hydroxy-phenyl]-2-hydroxy-phenoxy]phenyl]propanoic acid
Molecular Mass 539.534 g·mol−1
Heat of Formation -1380.2 ± 16.7 kJ·mol−1
Dipole Moment 8.15 ± 1.08 D
Volume 623.97 Å 3
Surface Area 527.99 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
InChIKey YLKSMWKXSSBSNR-QHAWAJNXSA-N
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