XTS
Summary
| Name: | 9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE |
| Synonyms: | XANTHOSINE 9-BETA-D-RIBOFURANOSYLXANTHINE |
| Formula: | C10 H12 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 284.225 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | xanthosine |
| OpenEye OEToolkits | 1.5.0 | 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3Nc1c(ncn1C2OC(C(O)C2O)CO)C(=O)N3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23 |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | UBORTCNDUKBEOP-BDXYJKHTSA-N |
