EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID401005578

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID401005578


InChI Key	VENOOAZURGUSRD-UHFFFAOYSA-M
Smiles	[K+].CCCCC(CC)COCCOP(O)([O-])=O
InChI	InChI=1S/C10H23O5P.K/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13;/h10H,3-9H2,1-2H3,(H2,11,12,13);/q;+1/p-1

InChI Key

VENOOAZURGUSRD-UHFFFAOYSA-M

Smiles

[K+].CCCCC(CC)COCCOP(O)([O-])=O

InChI

InChI=1S/C10H23O5P.K/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13;/h10H,3-9H2,1-2H3,(H2,11,12,13);/q;+1/p-1

Property Name	Value
Molecular Formula	C10H22KO5P
Molecular Weight	292.08
AlogP	-1.3
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	78.82
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H22KO5P

Molecular Weight

292.08

AlogP

-1.3

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

78.82

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	85153-36-2
NORMAN SUSDAT
PubChem	44154144

Resources

Reference

CAS NUMBER

85153-36-2

NORMAN SUSDAT

PubChem

44154144

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

MONO[2-(2-ETHYLHEXANEOXY)ETHYL] PHOSPHATE, POTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References