4UO
Summary
| Name: | 2,3-dihydroxanthosine |
| Synonyms: | Xanthosine |
| Formula: | C10 H12 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 284.225 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3-dihydroxanthosine |
| OpenEye OEToolkits | 1.9.2 | 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)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-UUOKFMHZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23 |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O |
