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POG

Summary
Name:(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL
Synonyms:POLYPROPYLENE GLYCOL
HEPTAPROPYLENE GLYCOL
Formula:C21 H44 O8
Formal charge:0
Formula weight:424.569 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol
OpenEye OEToolkits1.5.0(2R)-1-[(2S)-1-[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-hydroxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
SMILESCACTVS3.341C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
SMILESOpenEye OEToolkits1.5.0CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI1.03InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1
InChIKeyInChI1.03OWRNLGZKEZSHGO-QAWAPDBNSA-N

224931

PDB entries from 2024-09-11

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