EcoDrugPlus


Keyword(s):	Surfactants ; Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	CAL22UVI4M

Keyword(s):

Surfactants ; Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

CAL22UVI4M


InChI Key	HMFKFHLTUCJZJO-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO
InChI	InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3

InChI Key

HMFKFHLTUCJZJO-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO

InChI

InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3

Property Name	Value
Molecular Formula	C26H50O10
Molecular Weight	522.34
AlogP	2.0
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	25.0
Polar Surface Area	133.14
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C26H50O10

Molecular Weight

522.34

AlogP

2.0

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

25.0

Polar Surface Area

133.14

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	9005-67-8
NORMAN SUSDAT
FDA SRS	CAL22UVI4M
PubChem	443314
ChemSpider	391555.0

Resources

Reference

CAS NUMBER

9005-67-8

NORMAN SUSDAT

FDA SRS

CAL22UVI4M

PubChem

443314

ChemSpider

391555.0

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

POLYSORBATE 60

Structure

Physicochemical Descriptors

Cross References