(9R)-2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-[(E)-(1-Hydroxy-2,3,5,6,7,8-Hexahydroquinoline-2,3,4A,5,6,7,8,8A-Octaid-4-Ylidene)Amino]-3,8-Dihydropurin-1-Ium-6-One
Properties
| Property | Value |
|---|---|
| Formula | C19H31N7O6++ |
| IUPAC Name | 7-[(e)-[(1s,4ar,8as)-1-hydroxy-2,3,4a,5,6,7,8,8a-octahydro-1h-quinolin-1-ium-4-ylidene]amino]-2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,8-dihydropurin-3-ium-6-one |
| Molecular Mass | 453.493 g·mol−1 |
| Heat of Formation | -386.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.97 ± 1.08 D |
| Volume | 478.56 Å 3 |
| Surface Area | 395.23 Å 2 |
| HOMO Energy | -8.05 ± 0.55 eV |
| LUMO Energy | 2.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GFALFLRIHZSWBP-NJNXJJMASA-P |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |