(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H21N5O5S |
| IUPAC Name | (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid |
| Molecular Mass | 383.423 g·mol−1 |
| Heat of Formation | -701.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.92 ± 1.08 D |
| Volume | 430.07 Å 3 |
| Surface Area | 361.26 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -0.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NNBPSNMKJXZWAD-NDXSAKOMSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |