EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Salt-form
EPA CompTox	DTXSID50274017

Keyword(s):

Surfactants

Molecule Category

Salt-form

EPA CompTox

DTXSID50274017


InChI Key	QTDIEDOANJISNP-UHFFFAOYSA-N
Smiles	N.CCCCCCCCCCCCOCCO[S](O)(=O)=O
InChI	InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)

InChI Key

QTDIEDOANJISNP-UHFFFAOYSA-N

Smiles

N.CCCCCCCCCCCCOCCO[S](O)(=O)=O

InChI

InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)

Property Name	Value
Molecular Formula	C14H30O5S1
Molecular Weight	310.18
AlogP	3.74
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	72.83
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H30O5S1

Molecular Weight

310.18

AlogP

3.74

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

72.83

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	48073-44-5
NORMAN SUSDAT
PubChem	24761
ChemSpider	23147.0

Resources

Reference

CAS NUMBER

48073-44-5

NORMAN SUSDAT

PubChem

24761

ChemSpider

23147.0


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).

2-DODECYLOXYETHYL HYDROGEN SULFATE

Structure

Physicochemical Descriptors

Cross References