Chemical Components in the PDB

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DXE : Summary

Code

DXE

One-letter code

X

Molecule name

1,2-DIMETHOXYETHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,2-dimethoxyethane
OpenEye OEToolkits 1.5.0 1,2-dimethoxyethane

Formula

C4 H10 O2

Formal charge

0

Molecular weight

90.121 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(C)CCOC
SMILES CACTVS 3.341 COCCOC
SMILES OpenEye OEToolkits 1.5.0 COCCOC
Canonical SMILES CACTVS 3.341 COCCOC
Canonical SMILES OpenEye OEToolkits 1.5.0 COCCOC

IUPAC InChI

InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3

IUPAC InChI key

XTHFKEDIFFGKHM-UHFFFAOYSA-N
DXE

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned