9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2-[(1-Hydroxy-4-Imino-5,6,7,8-Tetrahydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaid-3-Yl)Amino]-3H-Purine-1,7-Diium-4-Id-6-One
Properties
Property | Value |
---|---|
Formula | C19H21N7O5++ |
IUPAC Name | 9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[(1-hydroxy-4-imino-5,6,7,8-tetrahydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaid-3-yl)amino]-3h-purine-1,7-diium-4-id-6-one |
Molecular Mass | 427.414 g·mol−1 |
Heat of Formation | -211.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.11 ± 1.08 D |
Volume | 459.88 Å 3 |
Surface Area | 395.85 Å 2 |
HOMO Energy | -8.51 ± 0.55 eV |
LUMO Energy | 2.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | WKEBBEQJXNBVDF-MKOOQRNASA-Q |
QR Code | Generate QR Code |
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Elements | H C O N |