EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OMW34MPM4E
EPA CompTox	DTXSID80182171

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OMW34MPM4E

EPA CompTox

DTXSID80182171


InChI Key	FDXQLPHYJKXLSO-UHFFFAOYSA-N
Smiles	O(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChI	InChI=1/C20H42O10/c1-21-3-5-23-7-9-25-11-13-27-15-17-29-19-20-30-18-16-28-14-12-26-10-8-24-6-4-22-2/h3-20H2,1-2H3

InChI Key

FDXQLPHYJKXLSO-UHFFFAOYSA-N

Smiles

O(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOC

InChI

InChI=1/C20H42O10/c1-21-3-5-23-7-9-25-11-13-27-15-17-29-19-20-30-18-16-28-14-12-26-10-8-24-6-4-22-2/h3-20H2,1-2H3

Property Name	Value
Molecular Formula	C20H42O10
Molecular Weight	442.28
AlogP	0.41
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	27.0
Polar Surface Area	92.3
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H42O10

Molecular Weight

442.28

AlogP

0.41

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

27.0

Polar Surface Area

92.3

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	24991-55-7
NORMAN SUSDAT
FDA SRS	OMW34MPM4E
PubChem	119732

Resources

Reference

CAS NUMBER

24991-55-7

NORMAN SUSDAT

FDA SRS

OMW34MPM4E

PubChem

119732

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

2,5,8,11,14,17,20,23,26,29-DECAOXATRIACONTANE

Structure

Physicochemical Descriptors

Cross References