MIF
Summary
| Name: | (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one |
| Formula: | C8 H12 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 264.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one |
| OpenEye OEToolkits | 1.7.6 | (6R,7R,8S,9S,10R)-2-azanylidene-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC(=[N@H])SC21OC(C(O)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O6S/c9-7-10-6(15)8(17-7)5(14)4(13)3(12)2(1-11)16-8/h2-5,11-14H,1H2,(H2,9,10,15)/t2-,3-,4+,5-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | UADFNVXVJZELQM-UXDJRKLDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@]2(SC(=N)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[C]2(SC(=N)NC2=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C2(O1)C(=O)NC(=N)S2)O)O)O)O |
