(2S)-2-Amino-4-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Methylamino)Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H24N6O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid |
| Molecular Mass | 400.453 g·mol−1 |
| Heat of Formation | -660.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.49 ± 1.08 D |
| Volume | 445.47 Å 3 |
| Surface Area | 392.76 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WHTXKTGUPIKAJS-TWBCTODHSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |