EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6MUT4TFZ4U
EPA CompTox	DTXSID60195608

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6MUT4TFZ4U

EPA CompTox

DTXSID60195608


InChI Key	QDYVUMSONFTXBY-UHFFFAOYSA-N
Smiles	CCOP1(=O)OCC(CBr)(CBr)CO1
InChI	InChI=1S/C7H13Br2O4P/c1-2-11-14(10)12-5-7(3-8,4-9)6-13-14/h2-6H2,1H3

InChI Key

QDYVUMSONFTXBY-UHFFFAOYSA-N

Smiles

CCOP1(=O)OCC(CBr)(CBr)CO1

InChI

InChI=1S/C7H13Br2O4P/c1-2-11-14(10)12-5-7(3-8,4-9)6-13-14/h2-6H2,1H3

Property Name	Value
Molecular Formula	C7H13Br2O4P1
Molecular Weight	349.89
AlogP	2.95
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	44.76
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C7H13Br2O4P1

Molecular Weight

349.89

AlogP

2.95

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

44.76

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	42983-32-4
NORMAN SUSDAT
FDA SRS	6MUT4TFZ4U
PubChem	6451945
ChemSpider	4954391.0

Resources

Reference

CAS NUMBER

42983-32-4

NORMAN SUSDAT

FDA SRS

6MUT4TFZ4U

PubChem

6451945

ChemSpider

4954391.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

5,5-BIS(BROMOMETHYL)-2-ETHOXY-1,3,2-DIOXAPHOSPHORINANE 2-OXIDE

Structure

Physicochemical Descriptors

Cross References