2Q5
Summary
| Name: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol |
| Formula: | C12 H26 O5 |
| Formal charge: | 0 |
| Formula weight: | 250.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-oxidanylpropoxy]propoxy]propoxy]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(COC(COC(COC(C)CO)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-/m1/s1 |
| InChIKey | InChI | 1.03 | QVHMSMOUDQXMRS-WISYIIOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CO[C@@H](C)CO[C@H](C)CO[C@H](C)CO |
| SMILES | CACTVS | 3.385 | C[CH](O)CO[CH](C)CO[CH](C)CO[CH](C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CO)OCC(C)OCC(C)OCC(C)O |
