EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1IPG6LB9NM
EPA CompTox	DTXSID00206101

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1IPG6LB9NM

EPA CompTox

DTXSID00206101


InChI Key	JDPZLHCKBWMLDH-UHFFFAOYSA-N
Smiles	C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C
InChI	InChI=1S/C24H42O12/c1-3-23(25)35-21-19-33-17-15-31-13-11-29-9-7-27-5-6-28-8-10-30-12-14-32-16-18-34-20-22-36-24(26)4-2/h3-4H,1-2,5-22H2

InChI Key

JDPZLHCKBWMLDH-UHFFFAOYSA-N

Smiles

C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C

InChI

InChI=1S/C24H42O12/c1-3-23(25)35-21-19-33-17-15-31-13-11-29-9-7-27-5-6-28-8-10-30-12-14-32-16-18-34-20-22-36-24(26)4-2/h3-4H,1-2,5-22H2

Property Name	Value
Molecular Formula	C24H42O12
Molecular Weight	522.27
AlogP	0.58
Hydrogen Bond Acceptor	12.0
Number of Rotational Bond	29.0
Polar Surface Area	126.44
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C24H42O12

Molecular Weight

522.27

AlogP

0.58

Hydrogen Bond Acceptor

12.0

Number of Rotational Bond

29.0

Polar Surface Area

126.44

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	26570-48-9
NORMAN SUSDAT
FDA SRS	1IPG6LB9NM
PubChem	93684
ChemSpider	84567.0

Resources

Reference

CAS NUMBER

26570-48-9

NORMAN SUSDAT

FDA SRS

1IPG6LB9NM

PubChem

93684

ChemSpider

84567.0

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

3,6,9,12,15,18,21,24-OCTAOXAHEXACOSANE-1,26-DIYL DIACRYLATE

Structure

Physicochemical Descriptors

Cross References