(2S,2'S,2''S)-3,3',3''-(2',6,6''-Trihydroxy-1,1':3',1''-Terphenyl-3,3'',5'-Triyl)Tris(2-Aminopropanoic Acid)

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Properties Simple | Detailed

Formula C27H29N3O9
IUPAC Name (2s)-2-amino-3-[3-[5-[(2s)-2-amino-2-carboxy-ethyl]-3-[5-[(2s)-2-amino-2-carboxy-ethyl]-2-hydroxy-phenyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]propanoic acid
Molecular Mass 539.534 g·mol−1
Heat of Formation -1544.2 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 609.17 Å 3
Surface Area 474.36 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3,5-bis[5-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]propionic acid
  • (2s)-2-amino-3-[3,5-bis[5-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-2-hydroxy-phenyl]-4-hydroxy-phenyl]propanoic acid
  • (2s)-2-amino-3-[3,5-bis[5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]propanoic acid
InChIKey NPBWIDQFGZURMZ-ACRUOGEOSA-N
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