TGR
Summary
| Name: | 1-deoxy-alpha-D-xylo-hex-3-ulofuranose |
| Synonyms: | 1-deoxy 3-keto D-galactitol(Furanose form) 1-deoxy-alpha-D-xylo-hex-3-ulose; 1-deoxy-D-xylo-hex-3-ulose; 1-deoxy-xylo-hex-3-ulose |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-deoxy-alpha-D-xylo-hex-3-ulofuranose |
| OpenEye OEToolkits | 1.9.2 | (2S,3S,4R)-2-[(1S)-1-oxidanylethyl]oxolane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C1(OCC(C1O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-3(7)6(10)5(9)4(8)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | ZCEUQVBSRPIKHS-FSIIMWSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@]1(O)OC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH](O)[C]1(O)OC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C1(C(C(CO1)O)O)O)O |
