AZF
Summary
| Name: | AZAFAGOMINE |
| Formula: | C5 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 148.16 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4R,5R)-3-(hydroxymethyl)hexahydropyridazine-4,5-diol |
| OpenEye OEToolkits | 1.5.0 | (3R,4R,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(NNCC1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1NNC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1NNC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H]([C@H](NN1)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(NN1)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | PPPMSBCQTLJPKM-UOWFLXDJSA-N |
