7GW
Summary
| Name: | (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(12-2)6(10)11/h2-11H,1H2/t2-,3+,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | IRLQCNDEPRBYOU-NRXMZTRTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1O[C@@H](C(O)O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](C(O)O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(O1)C(O)O)O)O)O |
