EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YD52GQS9NC
EPA CompTox	DTXSID7064497

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YD52GQS9NC

EPA CompTox

DTXSID7064497


InChI Key	DZQISOJKASMITI-UHFFFAOYSA-N
Smiles	CCCCCCCCCCP(=O)(O)O
InChI	InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)

InChI Key

DZQISOJKASMITI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)

Property Name	Value
Molecular Formula	C10H23O3P1
Molecular Weight	222.14
AlogP	3.3
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	57.53
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H23O3P1

Molecular Weight

222.14

AlogP

3.3

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

57.53

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	6874-60-8
NORMAN SUSDAT
FDA SRS	YD52GQS9NC
PubChem	81309
ChemSpider	70817.0

Resources

Reference

CAS NUMBER

6874-60-8

NORMAN SUSDAT

FDA SRS

YD52GQS9NC

PubChem

81309

ChemSpider

70817.0

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

PHOSPHONIC ACID, DECYL-

Structure

Physicochemical Descriptors

Cross References