EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	56V3OG5DC7
EPA CompTox	DTXSID5024051

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

56V3OG5DC7

EPA CompTox

DTXSID5024051


InChI Key	WOAFDHWYKSOANX-UHFFFAOYSA-N
Smiles	CC(C)OP(=O)(C)OC(C)C
InChI	InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

InChI Key

WOAFDHWYKSOANX-UHFFFAOYSA-N

Smiles

CC(C)OP(=O)(C)OC(C)C

InChI

InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

Property Name	Value
Molecular Formula	C7H17O3P1
Molecular Weight	180.09
AlogP	2.66
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	35.53
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H17O3P1

Molecular Weight

180.09

AlogP

2.66

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

35.53

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	1445-75-6
NORMAN SUSDAT
FDA SRS	56V3OG5DC7
PubChem	3073
ChemSpider	2964.0

Resources

Reference

CAS NUMBER

1445-75-6

NORMAN SUSDAT

FDA SRS

56V3OG5DC7

PubChem

3073

ChemSpider

2964.0

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

DIISOPROPYL METHYLPHOSPHONATE

Structure

Physicochemical Descriptors

Cross References