4-Amino-6-Bromo-7-[(2S,3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-5-Carboxamide

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Formula C12H15BrN5O5
IUPAC Name 4-amino-6-bromo-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 389.182 g·mol−1
Heat of Formation -713.5 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 355.02 Å 3
Surface Area 298.65 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey SXWNOYUWGYYEHN-YJMZUNRSSA-O
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Elements H C O Br N