1AX
Summary
| Name: | (2R,2'R)-3,3'-oxydipropane-1,2-diol |
| Formula: | C6 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 166.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,2'R)-3,3'-oxydipropane-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-[(2R)-2,3-bis(oxidanyl)propoxy]propane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)COCC(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | GPLRAVKSCUXZTP-PHDIDXHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)COC[C@H](O)CO |
| SMILES | CACTVS | 3.370 | OC[CH](O)COC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@H](COC[C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(COCC(CO)O)O)O |
