EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5I441BG8E9
EPA CompTox	DTXSID5027980

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5I441BG8E9

EPA CompTox

DTXSID5027980


InChI Key	CJWBPEYRTPGWPF-UHFFFAOYSA-N
Smiles	ClCCOP(=O)(OCCCl)OCCOP(=O)(OCCCl)OCCCl
InChI	InChI=1S/C10H20Cl4O8P2/c11-1-5-17-23(15,18-6-2-12)21-9-10-22-24(16,19-7-3-13)20-8-4-14/h1-10H2

InChI Key

CJWBPEYRTPGWPF-UHFFFAOYSA-N

Smiles

ClCCOP(=O)(OCCCl)OCCOP(=O)(OCCCl)OCCCl

InChI

InChI=1S/C10H20Cl4O8P2/c11-1-5-17-23(15,18-6-2-12)21-9-10-22-24(16,19-7-3-13)20-8-4-14/h1-10H2

Property Name	Value
Molecular Formula	C10H20Cl4O8P2
Molecular Weight	469.94
AlogP	4.26
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	17.0
Polar Surface Area	89.52
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C10H20Cl4O8P2

Molecular Weight

469.94

AlogP

4.26

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

17.0

Polar Surface Area

89.52

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	33125-86-9
NORMAN SUSDAT
FDA SRS	5I441BG8E9
PubChem	94445
ChemSpider	85230.0

Resources

Reference

CAS NUMBER

33125-86-9

NORMAN SUSDAT

FDA SRS

5I441BG8E9

PubChem

94445

ChemSpider

85230.0

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...

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Last update: Monday, 3 November 2025

PHOSPHORIC ACID, 1,2-ETHANEDIYL TETRAKIS(2-CHLOROETHYL) ESTER

Structure

Physicochemical Descriptors

Cross References