2WD
Summary
| Name: | (1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol |
| Formula: | C14 H30 O5 |
| Formal charge: | 0 |
| Formula weight: | 278.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol |
| OpenEye OEToolkits | 1.7.6 | (1R)-1-[(2S)-3-oxidanyl-2-[(1R)-1-oxidanylpentoxy]propoxy]hexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(OC(COC(O)CCCCC)CO)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H30O5/c1-3-5-7-9-13(16)18-11-12(10-15)19-14(17)8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.03 | GKBWBGWQSQJUDA-BFHYXJOUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](O)OC[C@H](CO)O[C@@H](O)CCCC |
| SMILES | CACTVS | 3.385 | CCCCC[CH](O)OC[CH](CO)O[CH](O)CCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC(O)OCC(CO)OC(CCCC)O |
