EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2M82KC33BB
EPA CompTox	DTXSID701006501

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2M82KC33BB

EPA CompTox

DTXSID701006501


InChI Key	VCSZVNWYOBIYIV-UHFFFAOYSA-N
Smiles	OCCOP(O)(=O)OCC(CC)CCCC
InChI	InChI=1/C10H23O5P/c1-3-5-6-10(4-2)9-15-16(12,13)14-8-7-11/h10-11H,3-9H2,1-2H3,(H,12,13)

InChI Key

VCSZVNWYOBIYIV-UHFFFAOYSA-N

Smiles

OCCOP(O)(=O)OCC(CC)CCCC

InChI

InChI=1/C10H23O5P/c1-3-5-6-10(4-2)9-15-16(12,13)14-8-7-11/h10-11H,3-9H2,1-2H3,(H,12,13)

Property Name	Value
Molecular Formula	C10H23O5P
Molecular Weight	254.13
AlogP	2.33
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	75.99
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H23O5P

Molecular Weight

254.13

AlogP

2.33

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

75.99

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	85909-40-6
NORMAN SUSDAT
FDA SRS	2M82KC33BB

Resources

Reference

CAS NUMBER

85909-40-6

NORMAN SUSDAT

FDA SRS

2M82KC33BB

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

2-ETHYLHEXYL 2-HYDROXYETHYL HYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References