EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID80890901

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID80890901


InChI Key	NZPBRWXFHYMECG-UHFFFAOYSA-L
Smiles	[K+].[K+].CCCCCCCCC=CCCCCCCCCOP([O-])([O-])=O
InChI	InChI=1S/C18H37O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2

InChI Key

NZPBRWXFHYMECG-UHFFFAOYSA-L

Smiles

[K+].[K+].CCCCCCCCC=CCCCCCCCCOP([O-])([O-])=O

InChI

InChI=1S/C18H37O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2

Property Name	Value
Molecular Formula	C18H35K2O4P
Molecular Weight	424.15
AlogP	-1.12
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	17.0
Polar Surface Area	72.42
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C18H35K2O4P

Molecular Weight

424.15

AlogP

-1.12

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

17.0

Polar Surface Area

72.42

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	59125-49-4
NORMAN SUSDAT
PubChem	78411095

Resources

Reference

CAS NUMBER

59125-49-4

NORMAN SUSDAT

PubChem

78411095

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

OLEYL PHOSPHATE, POTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References