EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L26F8X2O47
EPA CompTox	DTXSID70960389

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L26F8X2O47

EPA CompTox

DTXSID70960389


InChI Key	KUWCMTFKTVOJID-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCC(O)CO
InChI	InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21/h20-22H,2-19H2,1H3

InChI Key

KUWCMTFKTVOJID-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCC(O)CO

InChI

InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21/h20-22H,2-19H2,1H3

Property Name	Value
Molecular Formula	C20H42O2
Molecular Weight	314.32
AlogP	5.99
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	18.0
Polar Surface Area	40.46
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H42O2

Molecular Weight

314.32

AlogP

5.99

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

18.0

Polar Surface Area

40.46

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	39825-93-9
NORMAN SUSDAT
FDA SRS	L26F8X2O47
PubChem	3016117
ChemSpider	2284121.0

Resources

Reference

CAS NUMBER

39825-93-9

NORMAN SUSDAT

FDA SRS

L26F8X2O47

PubChem

3016117

ChemSpider

2284121.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

ARACHIDYL GLYCOL

Structure

Physicochemical Descriptors

Cross References