EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID7067087

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID7067087


InChI Key	FPYLHOQPWCQAIJ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCP(=O)(OC)OC
InChI	InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3

InChI Key

FPYLHOQPWCQAIJ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCP(=O)(OC)OC

InChI

InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3

Property Name	Value
Molecular Formula	C20H43O3P1
Molecular Weight	362.29
AlogP	7.73
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	19.0
Polar Surface Area	35.53
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H43O3P1

Molecular Weight

362.29

AlogP

7.73

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

19.0

Polar Surface Area

35.53

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	25371-54-4
NORMAN SUSDAT
PubChem	117455
ChemSpider	104965.0

Resources

Reference

CAS NUMBER

25371-54-4

NORMAN SUSDAT

PubChem

117455

ChemSpider

104965.0

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

PHOSPHONIC ACID, OCTADECYL-, DIMETHYL ESTER

Structure

Physicochemical Descriptors

Cross References