3P9
Summary
| Name: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol |
| Synonyms: | Polypropyleneglycol |
| Formula: | C9 H20 O4 |
| Formal charge: | 0 |
| Formula weight: | 192.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-[(2S)-2-[(2R)-2-oxidanylpropoxy]propoxy]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(C(CO)C)CC(OCC(O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 |
| InChIKey | InChI | 1.03 | LCZVSXRMYJUNFX-VGMNWLOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CO[C@@H](C)CO[C@@H](C)CO |
| SMILES | CACTVS | 3.385 | C[CH](O)CO[CH](C)CO[CH](C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(CO)OCC(C)OCC(C)O |
