XPE

3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL

Created:	2004-06-23
Last modified:	2021-03-01

Find Related PDB Entry
30 entries where XPE is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	73
Chiral Atom Count	0
Bond Count	72
Aromatic Bond Count	0

2D diagram of XPE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
Synonyms	DECAETHYLENE GLYCOL
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula	C₂₀ H₄₂ O₁₁
Molecular Weight	458.541
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
SMILES	CACTVS	3.341	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Canonical SMILES	CACTVS	3.341	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI	InChI	1.03	InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
InChIKey	InChI	1.03	DTPCFIHYWYONMD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	79689
ChEBI	CHEBI:46550

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.