EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID20988038

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID20988038


InChI Key	UHJGFDBVGZHJQE-UHFFFAOYSA-M
Smiles	[K+].CCCCCCCCCC(CCCCCCCC([O-])=O)OS(O)(=O)=O
InChI	InChI=1S/C18H36O6S.K/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1

InChI Key

UHJGFDBVGZHJQE-UHFFFAOYSA-M

Smiles

[K+].CCCCCCCCCC(CCCCCCCC([O-])=O)OS(O)(=O)=O

InChI

InChI=1S/C18H36O6S.K/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1

Property Name	Value
Molecular Formula	C18H35KO6S
Molecular Weight	418.18
AlogP	0.8
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	103.73
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H35KO6S

Molecular Weight

418.18

AlogP

0.8

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

103.73

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	68422-22-0
NORMAN SUSDAT
PubChem	23668652

Resources

Reference

CAS NUMBER

68422-22-0

NORMAN SUSDAT

PubChem

23668652

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OLEIC ACID, SULFATED, POTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References