EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80987209

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80987209


InChI Key	JWLNMCQYIVCBPP-UHFFFAOYSA-N
Smiles	O(C=1C=CC=CC1CCCCCCCCC)P(OCC(CC)CCCC)OCC(CC)CCCC
InChI	InChI=1/C31H57O3P/c1-6-11-14-15-16-17-18-23-30-24-19-20-25-31(30)34-35(32-26-28(9-4)21-12-7-2)33-27-29(10-5)22-13-8-3/h19-20,24-25,28-29H,6-18,21-23,26-27H2,1-5H3

InChI Key

JWLNMCQYIVCBPP-UHFFFAOYSA-N

Smiles

O(C=1C=CC=CC1CCCCCCCCC)P(OCC(CC)CCCC)OCC(CC)CCCC

InChI

InChI=1/C31H57O3P/c1-6-11-14-15-16-17-18-23-30-24-19-20-25-31(30)34-35(32-26-28(9-4)21-12-7-2)33-27-29(10-5)22-13-8-3/h19-20,24-25,28-29H,6-18,21-23,26-27H2,1-5H3

Property Name	Value
Molecular Formula	C31H57O3P
Molecular Weight	508.4
AlogP	11.05
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	24.0
Polar Surface Area	27.69
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C31H57O3P

Molecular Weight

508.4

AlogP

11.05

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

24.0

Polar Surface Area

27.69

Heavy Atoms

35.0

Resources	Reference
CAS NUMBER	67859-74-9
NORMAN SUSDAT
PubChem	20255321

Resources

Reference

CAS NUMBER

67859-74-9

NORMAN SUSDAT

PubChem

20255321

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

BIS(2-ETHYLHEXYL) NONYLPHENYL PHOSPHITE

Structure

Physicochemical Descriptors

Cross References