ZPG
Summary
| Name: | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL |
| Formula: | C21 H44 O8 |
| Formal charge: | 0 |
| Formula weight: | 424.569 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[(2R)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2R)-2-hydroxypropoxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COCC(O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O |
| SMILES | CACTVS | 3.341 | C[CH](O)COC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H44O8/c1-15(22)8-24-10-17(3)26-12-19(5)28-14-21(7)29-13-20(6)27-11-18(4)25-9-16(2)23/h15-23H,8-14H2,1-7H3/t15-,16+,17+,18-,19+,20-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | XGDXHSHOQKNIEW-YSPFXGIPSA-N |
