EcoDrugPlus


Keyword(s):	Drinking Water Chemicals ; Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID4044951

Keyword(s):

Drinking Water Chemicals ; Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID4044951


InChI Key	SEILKFZTLVMHRR-UHFFFAOYSA-L
Smiles	CC(=C)C(=O)OCCOP(=O)([O-])[O-]
InChI	InChI=1S/C6H10O3.H3O4P/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h7H,1,3-4H2,2H3;(H3,1,2,3,4)

InChI Key

SEILKFZTLVMHRR-UHFFFAOYSA-L

Smiles

CC(=C)C(=O)OCCOP(=O)([O-])[O-]

InChI

InChI=1S/C6H10O3.H3O4P/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h7H,1,3-4H2,2H3;(H3,1,2,3,4)

Property Name	Value
Molecular Formula	C6H9O6P
Molecular Weight	228.04
AlogP	-0.83
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	124.29
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C6H9O6P

Molecular Weight

228.04

AlogP

-0.83

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

124.29

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	52628-03-2
NORMAN SUSDAT
PubChem	104265
ChemSpider	94129.0

Resources

Reference

CAS NUMBER

52628-03-2

NORMAN SUSDAT

PubChem

104265

ChemSpider

94129.0

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

2-HYDROXYETHYL METHACRYLATE PHOSPHATE

Structure

Physicochemical Descriptors

Cross References