(2S)-2-Amino-6-[(Z)-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Sulfanylethylideneamino]Hexanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H37N7O15P2S |
| IUPAC Name | (2s)-2-amino-6-[(z)-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]sulfanylethylideneamino]hexanoic acid |
| Molecular Mass | 745.590 g·mol−1 |
| Heat of Formation | -3040.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.88 ± 1.08 D |
| Volume | 791.21 Å 3 |
| Surface Area | 661.92 Å 2 |
| HOMO Energy | -9.24 ± 0.55 eV |
| LUMO Energy | -1.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QCCPYOIQNJXXHI-WVAZNDMKSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P S |