EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	B59KW95BRL
EPA CompTox	DTXSID30880478

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

B59KW95BRL

EPA CompTox

DTXSID30880478


InChI Key	HHURSJAUVYNJBT-UHFFFAOYSA-M
Smiles	[Na+].O=S(=O)([O-])OCCCCCCCCCCCCCCCCC
InChI	InChI=1/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1

InChI Key

HHURSJAUVYNJBT-UHFFFAOYSA-M

Smiles

[Na+].O=S(=O)([O-])OCCCCCCCCCCCCCCCCC

InChI

InChI=1/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1

Property Name	Value
Molecular Formula	C17H36O4S
Molecular Weight	358.22
AlogP	2.34
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	17.0
Polar Surface Area	66.43
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C17H36O4S

Molecular Weight

358.22

AlogP

2.34

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

17.0

Polar Surface Area

66.43

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	5910-79-2
NORMAN SUSDAT
FDA SRS	B59KW95BRL
PubChem	82166

Resources

Reference

CAS NUMBER

5910-79-2

NORMAN SUSDAT

FDA SRS

B59KW95BRL

PubChem

82166

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

SODIUM HEPTADECYL SULPHATE

Structure

Physicochemical Descriptors

Cross References