EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	EXU8U2AM5A
EPA CompTox	DTXSID1052537

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

EXU8U2AM5A

EPA CompTox

DTXSID1052537


InChI Key	ZMBHCYHQLYEYDV-UHFFFAOYSA-N
Smiles	CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
InChI	InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

InChI Key

ZMBHCYHQLYEYDV-UHFFFAOYSA-N

Smiles

CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3

Property Name	Value
Molecular Formula	C24H51O1P1
Molecular Weight	386.37
AlogP	9.43
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	21.0
Polar Surface Area	17.07
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H51O1P1

Molecular Weight

386.37

AlogP

9.43

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

21.0

Polar Surface Area

17.07

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	78-50-2
NORMAN SUSDAT
FDA SRS	EXU8U2AM5A
PubChem	65577

Resources

Reference

CAS NUMBER

78-50-2

NORMAN SUSDAT

FDA SRS

EXU8U2AM5A

PubChem

65577

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...

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Last update: Monday, 3 November 2025

TRIOCTYLPHOSPHINE OXIDE

Structure

Physicochemical Descriptors

Cross References