4TD
Summary
| Name: | (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol |
| Synonyms: | tetraerythritol propoxylate |
| Formula: | C17 H36 O8 |
| Formal charge: | 0 |
| Formula weight: | 368.463 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | GXEZGLLPFFKHGE-YHUYYLMFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)COC[C@](COC[C@H](C)O)(COC[C@H](C)O)COC[C@@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O |
