EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	2N1Z0K84G1
EPA CompTox	DTXSID20893810

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

2N1Z0K84G1

EPA CompTox

DTXSID20893810


InChI Key	YTFNPKAEOVSNTP-UHFFFAOYSA-N
Smiles	O=P(=O)OCCCCCCCCCCC(C)C
InChI	InChI=1/C13H27O3P/c1-13(2)11-9-7-5-3-4-6-8-10-12-16-17(14)15/h13H,3-12H2,1-2H3

InChI Key

YTFNPKAEOVSNTP-UHFFFAOYSA-N

Smiles

O=P(=O)OCCCCCCCCCCC(C)C

InChI

InChI=1/C13H27O3P/c1-13(2)11-9-7-5-3-4-6-8-10-12-16-17(14)15/h13H,3-12H2,1-2H3

Property Name	Value
Molecular Formula	C13H27O3P
Molecular Weight	262.17
AlogP	5.26
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	12.0
Polar Surface Area	43.37
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H27O3P

Molecular Weight

262.17

AlogP

5.26

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

12.0

Polar Surface Area

43.37

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	52933-07-0
NORMAN SUSDAT
FDA SRS	2N1Z0K84G1

Resources

Reference

CAS NUMBER

52933-07-0

NORMAN SUSDAT

FDA SRS

2N1Z0K84G1

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

PHOSPHORIC ACID, ISOTRIDECYL ESTER

Structure

Physicochemical Descriptors

Cross References