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- ChemComp-PE5: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL -

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Basic information

EntryDatabase: PDB chemical components / ID: PE5
NameName: 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
Synonyms: 2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL; POLYETHYLENE GLYCOL PEG400
Commentprecipitant*YM

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Chemical information

Composition
Formula: C18H38O9 / Number of atoms: 65 / Formula weight: 398.489 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PE5
History
Create componentJul 22, 2004
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
External linksUniChem / ChemSpider / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / 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(CCOCCOCC)CCOCCOCCOCCOCCOCCO
CACTVS 3.341CCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCCOCCOCCOCCO

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SMILES CANONICAL

CACTVS 3.341CCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0CCOCCOCCOCCOCCOCCOCCOCCOCCO

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InChI

InChI 1.03InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3

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InChIKey

InChI 1.03CUDPPTPIUWYGFI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
OpenEye OEToolkits 1.5.02-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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