EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	82YMJ6A4EB
EPA CompTox	DTXSID30240654

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

82YMJ6A4EB

EPA CompTox

DTXSID30240654


InChI Key	LYBYLVMWDKBFTO-UHFFFAOYSA-N
Smiles	CCOCCOP(=O)(O)OCCOCC
InChI	InChI=1S/C8H19O6P/c1-3-11-5-7-13-15(9,10)14-8-6-12-4-2/h3-8H2,1-2H3,(H,9,10)

InChI Key

LYBYLVMWDKBFTO-UHFFFAOYSA-N

Smiles

CCOCCOP(=O)(O)OCCOCC

InChI

InChI=1S/C8H19O6P/c1-3-11-5-7-13-15(9,10)14-8-6-12-4-2/h3-8H2,1-2H3,(H,9,10)

Property Name	Value
Molecular Formula	C8H19O6P1
Molecular Weight	242.09
AlogP	1.19
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	74.22
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H19O6P1

Molecular Weight

242.09

AlogP

1.19

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

74.22

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	94113-78-7
NORMAN SUSDAT
FDA SRS	82YMJ6A4EB
PubChem	16205992
ChemSpider	15460739.0

Resources

Reference

CAS NUMBER

94113-78-7

NORMAN SUSDAT

FDA SRS

82YMJ6A4EB

PubChem

16205992

ChemSpider

15460739.0

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

BIS(2-ETHOXYETHYL) HYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References