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- ChemComp-12P: DODECAETHYLENE GLYCOL -

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Basic information

EntryDatabase: PDB chemical components / ID: 12P
NameName: dodecaethylene glycol / Synonyms: POLYETHYLENE GLYCOL PEG400
Commentprecipitant*YM

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Chemical information

Composition
Formula: C24H50O13 / Number of atoms: 87 / Formula weight: 546.646 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 12P
History
Create componentJun 15, 2004
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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(CCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

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SMILES CANONICAL

CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

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InChI

InChI 1.03InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2

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InChIKey

InChI 1.03WRZXKWFJEFFURH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol
OpenEye OEToolkits 1.5.02-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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