(2R,3R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl (3S,6A'R,7'S,9'R)-6-Bromo-6A',9'-Dihydroxy-9'-Methyl-1',2,3',10'-Tetraoxo-1,1',2,2',3',4',5',6',6A',7',9',10'-Dodecahydrospiro[Indole-3,8'-Pyrido[1,2-F]Pteridine]-7'-Carboxylate

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Formula C25H26BrN5O13
IUPAC Name [(2r,3r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl] (6ar,7s,8s,9r)-6'-bromo-6a,9-dihydroxy-9-methyl-1,2',3,10-tetraoxo-spiro[4,5,6,7-tetrahydropyrido[1,2-f]pteridine-8,3'-indoline]-7-carboxylate
Molecular Mass 684.404 g·mol−1
Heat of Formation -2153.5 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 655.73 Å 3
Surface Area 467.64 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey BYUCWVNHAZPTMA-CRUFWYLASA-N
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Elements H C O Br N