EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	343AUY8ANH
EPA CompTox	DTXSID90218450

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

343AUY8ANH

EPA CompTox

DTXSID90218450


InChI Key	YTMRJBAHYSIRMZ-UHFFFAOYSA-N
Smiles	CCCCCCCCP(=O)(O)CCCCCCCC
InChI	InChI=1S/C16H35O2P/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

InChI Key

YTMRJBAHYSIRMZ-UHFFFAOYSA-N

Smiles

CCCCCCCCP(=O)(O)CCCCCCCC

InChI

InChI=1S/C16H35O2P/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)

Property Name	Value
Molecular Formula	C16H35O2P1
Molecular Weight	290.24
AlogP	5.98
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	37.3
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H35O2P1

Molecular Weight

290.24

AlogP

5.98

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

37.3

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	683-19-2
NORMAN SUSDAT
FDA SRS	343AUY8ANH
PubChem	99411
ChemSpider	89808.0

Resources

Reference

CAS NUMBER

683-19-2

NORMAN SUSDAT

FDA SRS

343AUY8ANH

PubChem

99411

ChemSpider

89808.0

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

DIOCTYLPHOSPHINIC ACID

Structure

Physicochemical Descriptors

Cross References