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- ChemComp-PE4: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY... -

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Basic information

EntryDatabase: PDB chemical components / ID: PE4
NameName: 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol
Synonyms: POLYETHYLENE GLYCOL PEG4000
Commentprecipitant*YM

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Chemical information

Composition
Formula: C16H34O8 / Number of atoms: 58 / Formula weight: 354.436 / Formal charge: 0
Others

1q74

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PE4 / Model coordinates PDB-ID: 1Q74
History
Create componentAug 18, 2003
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 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(CCOCCO)CCOCCOCCOCCOCCOCC
CACTVS 3.341CCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCCOCCOCCO

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SMILES CANONICAL

CACTVS 3.341CCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCCOCCOCCO

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InChI

InChI 1.03InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3

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InChIKey

InChI 1.03PJWQOENWHPEPKI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,6,9,12,15,18,21-heptaoxatricosan-1-ol
OpenEye OEToolkits 1.5.02-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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