GTZ
Summary
| Name: | (5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7,8-TRIHYDROXY-TETRAZOLO[1,5-A]PIPERIDINE |
| Formula: | C6 H10 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 202.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R,6S,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6,7,8-triol |
| OpenEye OEToolkits | 1.7.6 | (5R,6S,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nnn2c1C(O)C(O)C(O)C2CO |
| InChI | InChI | 1.03 | InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3+,4+,5-/m1/s1 |
| InChIKey | InChI | 1.03 | UCJXQRFJERKPOZ-MGCNEYSASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)c2nnnn12 |
| SMILES | CACTVS | 3.370 | OC[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(c2n1nnn2)O)O)O)O |
