GL4
Summary
| Name: | (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one |
| Synonyms: | 8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-THIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DECAN-4-ONE |
| Formula: | C8 H12 N2 O6 S |
| Formal charge: | 0 |
| Formula weight: | 264.256 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one |
| OpenEye OEToolkits | 1.5.0 | (5S,6R,7S,8S,9R)-6,7,8-trihydroxy-9-(hydroxymethyl)-2-sulfanylidene-10-oxa-1,3-diazaspiro[4.5]decan-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2NC(=S)NC21OC(C(O)C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[C]2(NC(=S)NC2=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C2(O1)C(=O)NC(=S)N2)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | OEWLGQKSTDZKFN-WWHASAIZSA-N |
