TGS
Summary
| Name: | 1-deoxy-D-xylo-hex-3-ulose |
| Synonyms: | 1-deoxy 3-keto-D-galactitol |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-deoxy-D-xylo-hex-3-ulose |
| OpenEye OEToolkits | 1.9.2 | (2S,4S,5R)-2,4,5,6-tetrakis(oxidanyl)hexan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)C(C(C(CO)O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | UCLAXLMTPFNPGE-RPDRRWSUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)C(=O)[C@@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.385 | C[CH](O)C(=O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(=O)C(C(CO)O)O)O |
