EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Salt-form
UNII	E3NPT90TF3
EPA CompTox	DTXSID1073070

Keyword(s):

Surfactants

Molecule Category

Salt-form

UNII

E3NPT90TF3

EPA CompTox

DTXSID1073070


InChI Key	YZSYVEVDNXPMQU-UHFFFAOYSA-N
Smiles	[Na+].CCCCCCCCCCCCCOCCOCC([O-])=O
InChI	InChI=1S/C17H34O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1

InChI Key

YZSYVEVDNXPMQU-UHFFFAOYSA-N

Smiles

[Na+].CCCCCCCCCCCCCOCCOCC([O-])=O

InChI

InChI=1S/C17H34O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1

Property Name	Value
Molecular Formula	C17H34O4
Molecular Weight	324.23
AlogP	0.08
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	17.0
Polar Surface Area	58.59
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H34O4

Molecular Weight

324.23

AlogP

0.08

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

17.0

Polar Surface Area

58.59

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	117292-47-4
NORMAN SUSDAT
FDA SRS	E3NPT90TF3
PubChem	62114
ChemSpider	55950.0

Resources

Reference

CAS NUMBER

117292-47-4

NORMAN SUSDAT

FDA SRS

E3NPT90TF3

PubChem

62114

ChemSpider

55950.0

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

SODIUM TRIDECETH-3 CARBOXYLATE

Structure

Physicochemical Descriptors

Cross References