Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PG0 : Summary

Code

PG0

One-letter code

X

Molecule name

2-(2-METHOXYETHOXY)ETHANOL

Synonyms

PEG 6000

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(2-methoxyethoxy)ethanol
OpenEye OEToolkits 1.5.0 2-(2-methoxyethoxy)ethanol

Formula

C5 H12 O3

Formal charge

0

Molecular weight

120.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCOCCOC
SMILES CACTVS 3.341 COCCOCCO
SMILES OpenEye OEToolkits 1.5.0 COCCOCCO
Canonical SMILES CACTVS 3.341 COCCOCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOCCO

IUPAC InChI

InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

IUPAC InChI key

SBASXUCJHJRPEV-UHFFFAOYSA-N
PG0

wwPDB Information

Atom count

20 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-06-02

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned