Chemical Components in the PDB

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PG6 : Summary

Code

PG6

One-letter code

X

Molecule name

1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,5,8,11,14,17-hexaoxaoctadecane
OpenEye OEToolkits 1.5.0 1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane

Formula

C12 H26 O6

Formal charge

0

Molecular weight

266.331 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCOC)CCOCCOCCOCCOC
SMILES CACTVS 3.341 COCCOCCOCCOCCOCCOC
SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOCCOCCOC
Canonical SMILES CACTVS 3.341 COCCOCCOCCOCCOCCOC
Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOCCOCCOCCOCCOC

IUPAC InChI

InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3

IUPAC InChI key

DMDPGPKXQDIQQG-UHFFFAOYSA-N
PG6

wwPDB Information

Atom count

44 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned