EcoDrugPlus


Synonyms	Tetradecyl sulfate
Status
Molecule Category	Free-form
UNII	6326W0DRHY
EPA CompTox	DTXSID7047015

Synonyms

Tetradecyl sulfate

Status

Molecule Category

Free-form

UNII

6326W0DRHY

EPA CompTox

DTXSID7047015


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	GROJOWHVXQYQGN-UHFFFAOYSA-N
Smiles	CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O
InChI	InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)

InChI Key

GROJOWHVXQYQGN-UHFFFAOYSA-N

Smiles

CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O

InChI

InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)

Property Name	Value
Molecular Formula	C14H30O4S
Molecular Weight	294.46
AlogP	4.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	63.6
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H30O4S

Molecular Weight

294.46

AlogP

4.22

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

11.0

Polar Surface Area

63.6

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

19.0

Resources	Reference
ChEBI	75275
ChEMBL	CHEMBL1201345
DrugBank	DB11328
DrugCentral	3550
FDA SRS	6326W0DRHY
SureChEMBL	SCHEMBL2369664

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

SureChEMBL


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

TETRADECYL SULFURIC ACID

Structure

Physicochemical Descriptors

Cross References