EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CD892RG2AR
EPA CompTox	DTXSID50210990

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CD892RG2AR

EPA CompTox

DTXSID50210990


InChI Key	UWJCYVDGGSAERX-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC
InChI	InChI=1S/C24H51O2P/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)

InChI Key

UWJCYVDGGSAERX-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC

InChI

InChI=1S/C24H51O2P/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)

Property Name	Value
Molecular Formula	C24H51O2P1
Molecular Weight	402.36
AlogP	9.1
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	22.0
Polar Surface Area	37.3
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H51O2P1

Molecular Weight

402.36

AlogP

9.1

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

22.0

Polar Surface Area

37.3

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	6196-71-0
NORMAN SUSDAT
FDA SRS	CD892RG2AR
PubChem	80329
ChemSpider	72564.0

Resources

Reference

CAS NUMBER

6196-71-0

NORMAN SUSDAT

FDA SRS

CD892RG2AR

PubChem

80329

ChemSpider

72564.0

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

DIDODECYLPHOSPHINIC ACID

Structure

Physicochemical Descriptors

Cross References