EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID30730747

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID30730747


InChI Key	VGWVJEFGGPSRLX-UHFFFAOYSA-N
Smiles	O=C(O)COCCOCCOCCOCCOCCOCCCCCCCCCCCCC
InChI	InChI=1S/C25H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27/h2-24H2,1H3,(H,26,27)

InChI Key

VGWVJEFGGPSRLX-UHFFFAOYSA-N

Smiles

O=C(O)COCCOCCOCCOCCOCCOCCCCCCCCCCCCC

InChI

InChI=1S/C25H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27/h2-24H2,1H3,(H,26,27)

Property Name	Value
Molecular Formula	C25H50O8
Molecular Weight	478.35
AlogP	4.48
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	29.0
Polar Surface Area	92.68
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C25H50O8

Molecular Weight

478.35

AlogP

4.48

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

29.0

Polar Surface Area

92.68

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	105365-63-7
NORMAN SUSDAT
PubChem	58975663
ChemSpider	28717596.0

Resources

Reference

CAS NUMBER

105365-63-7

NORMAN SUSDAT

PubChem

58975663

ChemSpider

28717596.0

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

C13, 6 EO CARBOXYMETHYLATED ACID

Structure

Physicochemical Descriptors

Cross References