A1H2X
Summary
| Name: | (2~{R},3~{R},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-one |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},5~{S},6~{S})-2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.06 | APIQNBNBIICCON-PUZYILPLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O)[C@H](O)C(=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)C(=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H](C(=O)[C@H]([C@H](O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(=O)C(C(O1)O)O)O)O |
