(2S)-2-Amino-4-[[(1S,2S,3S,4R)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-2,3-Dihydroxy-Cyclopentyl]Methylsulfanyl]Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H22N6O4S |
| IUPAC Name | (2s)-2-amino-4-[[(1s,2s,3s,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-2,3-dihydroxy-cyclopentyl]methylsulfanyl]butanoic acid |
| Molecular Mass | 382.438 g·mol−1 |
| Heat of Formation | -539.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.03 ± 1.08 D |
| Volume | 431.56 Å 3 |
| Surface Area | 365.21 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | 2.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OFFAUGDOJINDEV-TWXYISROSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |