TNX
Summary
| Name: | 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol |
| Synonyms: | N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide N-thioacetyl-D-glucal; NTA-glucal |
| Formula: | C8 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 219.258 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2~{H}-pyran-5-yl]ethanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1OC(C(C(C=1NC(=S)C)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4S/c1-4(14)9-5-3-13-6(2-10)8(12)7(5)11/h3,6-8,10-12H,2H2,1H3,(H,9,14)/t6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | VWPHMQQBRGEPGS-BWZBUEFSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=S)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(=S)NC1=CO[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=S)NC1=COC(C(C1O)O)CO |
