EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	W0QQU4CAB7
EPA CompTox	DTXSID1044699

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

W0QQU4CAB7

EPA CompTox

DTXSID1044699


InChI Key	UCQFCFPECQILOL-UHFFFAOYSA-N
Smiles	CCOP(=O)(O)OCC
InChI	InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)

InChI Key

UCQFCFPECQILOL-UHFFFAOYSA-N

Smiles

CCOP(=O)(O)OCC

InChI

InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)

Property Name	Value
Molecular Formula	C4H11O4P1
Molecular Weight	154.04
AlogP	1.16
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	55.76
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H11O4P1

Molecular Weight

154.04

AlogP

1.16

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

55.76

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	598-02-7
NORMAN SUSDAT
FDA SRS	W0QQU4CAB7
PubChem	654
ChemSpider	10183330.0

Resources

Reference

CAS NUMBER

598-02-7

NORMAN SUSDAT

FDA SRS

W0QQU4CAB7

PubChem

654

ChemSpider

10183330.0

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...

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

Last update: Monday, 3 November 2025

DIETHYL HYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References