EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	7Z8S9VYZ4B

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

7Z8S9VYZ4B


InChI Key	GJQHNBFXPPDVQM-KSQRYXQLSA-N
Smiles	CCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OCC)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](COCC)[C@@H]1O
InChI	InChI=1S/C19H36O11/c1-4-25-8-10-13(21)12(9-26-5-2)29-19(14(10)22)30-16-11(7-20)28-18(24)17(15(16)23)27-6-3/h10-24H,4-9H2,1-3H3/t10-,11+,12+,13-,14+,15?,16+,17?,18+,19?/m0/s1

InChI Key

GJQHNBFXPPDVQM-KSQRYXQLSA-N

Smiles

CCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OCC)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](COCC)[C@@H]1O

InChI

InChI=1S/C19H36O11/c1-4-25-8-10-13(21)12(9-26-5-2)29-19(14(10)22)30-16-11(7-20)28-18(24)17(15(16)23)27-6-3/h10-24H,4-9H2,1-3H3/t10-,11+,12+,13-,14+,15?,16+,17?,18+,19?/m0/s1

Property Name	Value
Molecular Formula	C19H36O11
Molecular Weight	440.23
AlogP	-2.02
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	11.0
Polar Surface Area	156.53
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C19H36O11

Molecular Weight

440.23

AlogP

-2.02

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

11.0

Polar Surface Area

156.53

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	9004-57-3
NORMAN SUSDAT
FDA SRS	7Z8S9VYZ4B
ChemSpider	145595.0

Resources

Reference

CAS NUMBER

9004-57-3

NORMAN SUSDAT

FDA SRS

7Z8S9VYZ4B

ChemSpider

145595.0

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

ETHYLCELLULOSE

Structure

Physicochemical Descriptors

Cross References