EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TO9KS28GOG
EPA CompTox	DTXSID30234275

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TO9KS28GOG

EPA CompTox

DTXSID30234275


InChI Key	GYIXDFJDLKMWAA-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOC(=O)C=C
InChI	InChI=1S/C13H24O7/c1-2-13(15)20-12-11-19-10-9-18-8-7-17-6-5-16-4-3-14/h2,14H,1,3-12H2

InChI Key

GYIXDFJDLKMWAA-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOC(=O)C=C

InChI

InChI=1S/C13H24O7/c1-2-13(15)20-12-11-19-10-9-18-8-7-17-6-5-16-4-3-14/h2,14H,1,3-12H2

Property Name	Value
Molecular Formula	C13H24O7
Molecular Weight	292.15
AlogP	-0.23
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	83.45
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C13H24O7

Molecular Weight

292.15

AlogP

-0.23

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

83.45

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	26403-58-7
NORMAN SUSDAT
FDA SRS	TO9KS28GOG
PubChem	10565559
ChemSpider	8740947.0

Resources

Reference

CAS NUMBER

26403-58-7

NORMAN SUSDAT

FDA SRS

TO9KS28GOG

PubChem

10565559

ChemSpider

8740947.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

14-HYDROXY-3,6,9,12-TETRAOXATETRADECYL ACRYLATE

Structure

Physicochemical Descriptors

Cross References