A1C9K
Summary
| Name: | (2R,3R,4S,5S)-6-hydrazinyl-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol |
| Formula: | C6 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 191.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R,3R,4S,5S)-6-hydrazinyl-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R},3~{R},4~{S},5~{S})-6-diazanyl-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1C(O)C(O)C(NN)=NC1CO |
| InChI | InChI | 1.06 | InChI=1S/C6H13N3O4/c7-9-6-5(13)4(12)3(11)2(1-10)8-6/h2-5,10-13H,1,7H2,(H,8,9)/t2-,3-,4+,5-/m1/s1 |
| InChIKey | InChI | 1.06 | UZPSVVDRNTZEOM-SQOUGZDYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | NNC1=N[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C([C@@H]1[C@H]([C@@H]([C@H](C(=N1)NN)O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(C1C(C(C(C(=N1)NN)O)O)O)O |
