EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	763U3BJS0Z
EPA CompTox	DTXSID301199263

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

763U3BJS0Z

EPA CompTox

DTXSID301199263


InChI Key	JFSBYZYBHKVSIK-UHFFFAOYSA-N
Smiles	C1C(COCO1)(COC(=O)CBr)COC(=O)CBr
InChI	InChI=1S/C10H14Br2O6/c11-1-8(13)17-5-10(3-15-7-16-4-10)6-18-9(14)2-12/h1-7H2

InChI Key

JFSBYZYBHKVSIK-UHFFFAOYSA-N

Smiles

C1C(COCO1)(COC(=O)CBr)COC(=O)CBr

InChI

InChI=1S/C10H14Br2O6/c11-1-8(13)17-5-10(3-15-7-16-4-10)6-18-9(14)2-12/h1-7H2

Property Name	Value
Molecular Formula	C10H14Br2O6
Molecular Weight	387.92
AlogP	0.85
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	71.06
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H14Br2O6

Molecular Weight

387.92

AlogP

0.85

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

6.0

Polar Surface Area

71.06

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	5489-70-3
NORMAN SUSDAT
FDA SRS	763U3BJS0Z
PubChem	72941461

Resources

Reference

CAS NUMBER

5489-70-3

NORMAN SUSDAT

FDA SRS

763U3BJS0Z

PubChem

72941461

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

5,5-BIS(BROMOACETOXYMETHYL)-M-DIOXANE

Structure

Physicochemical Descriptors

Cross References