EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	TVAYLTLIEOVOHO-UHFFFAOYSA-N
Smiles	OP(OCCOCCCCCCCCCCC(C)C)(O)=O
InChI	InChI=1S/C15H33O5P/c1-15(2)11-9-7-5-3-4-6-8-10-12-19-13-14-20-21(16,17)18/h15H,3-14H2,1-2H3,(H2,16,17,18)

InChI Key

TVAYLTLIEOVOHO-UHFFFAOYSA-N

Smiles

OP(OCCOCCCCCCCCCCC(C)C)(O)=O

InChI

InChI=1S/C15H33O5P/c1-15(2)11-9-7-5-3-4-6-8-10-12-19-13-14-20-21(16,17)18/h15H,3-14H2,1-2H3,(H2,16,17,18)

Property Name	Value
Molecular Formula	C15H33O5P
Molecular Weight	324.21
AlogP	4.28
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	75.99
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H33O5P

Molecular Weight

324.21

AlogP

4.28

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

75.99

Heavy Atoms

21.0

Resources	Reference
NORMAN SUSDAT
PubChem	132131289

Resources

Reference

NORMAN SUSDAT

PubChem

132131289

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

ISO C13 ALKYL PHOSPHATE ESTERS, 1 EO

Structure

Physicochemical Descriptors

Cross References