9-Amino-12-(2-Amino-1-Hydroxy-2-Oxoethyl)-4-Hydroxy-10,13-Dioxo-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaene-15-Carboxylic Acid

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Formula C22H24N4O8
IUPAC Name 9-amino-12-(2-amino-1-hydroxy-2-oxoethyl)-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1 3,7 ]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxylic acid
Molecular Mass 472.448 g·mol−1
Heat of Formation -1237.6 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 543.49 Å 3
Surface Area 410.73 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey BIINTWLXGRHBOS-USJZOSNVSA-N
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