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- ChemComp-POG: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-... -

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Basic information

EntryDatabase: PDB chemical components / ID: POG
NameName: (20S)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol
Synonyms: POLYPROPYLENE GLYCOL; HEPTAPROPYLENE GLYCOL

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Chemical information

Composition
Formula: C21H44O8 / Number of atoms: 73 / Formula weight: 424.569 / Formal charge: 0
Others

1woz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: POG / Model coordinates PDB-ID: 1WOZ
History
Create componentSep 1, 2004
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
CACTVS 3.341C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
OpenEye OEToolkits 1.5.0CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O

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SMILES CANONICAL

CACTVS 3.341C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
OpenEye OEToolkits 1.5.0C[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

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03OWRNLGZKEZSHGO-QAWAPDBNSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol
OpenEye OEToolkits 1.5.0(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

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