N-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Oxo-8H-Purine-1,3-Diium-5,8-Diid-7-Yl]Quinolin-1-Ium-4A-Id-4-Amine Oxide
Properties
Property | Value |
---|---|
Formula | C19H22N7O6+ |
IUPAC Name | n-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-8h-purine-1,3-diium-5,8-diid-7-yl]quinolin-1-ium-4a-id-4-amine oxide |
Molecular Mass | 444.421 g·mol−1 |
Heat of Formation | -277.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.91 ± 1.08 D |
Volume | 467.95 Å 3 |
Surface Area | 391.27 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | -1.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | RXQFKOXEJOMHRF-TZDSRONYSA-Q |
QR Code | Generate QR Code |
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Elements | H C O N |