EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
EPA CompTox	DTXSID00872789

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

EPA CompTox

DTXSID00872789


InChI Key	XSAOTYCWGCRGCP-UHFFFAOYSA-K
Smiles	[Al+3].CCP([O-])(=O)CC.CCP([O-])(=O)CC.CCP([O-])(=O)CC
InChI	InChI=1S/3C4H11O2P.Al/c31-3-7(5,6)4-2;/h33-4H2,1-2H3,(H,5,6);/q;;;+3/p-3

InChI Key

XSAOTYCWGCRGCP-UHFFFAOYSA-K

Smiles

[Al+3].CCP([O-])(=O)CC.CCP([O-])(=O)CC.CCP([O-])(=O)CC

InChI

InChI=1S/3C4H11O2P.Al/c3*1-3-7(5,6)4-2;/h3*3-4H2,1-2H3,(H,5,6);/q;;;+3/p-3

Property Name	Value
Molecular Formula	C12H30AlO6P3
Molecular Weight	390.11
AlogP	1.61
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	6.0
Polar Surface Area	120.39
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C12H30AlO6P3

Molecular Weight

390.11

AlogP

1.61

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

6.0

Polar Surface Area

120.39

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	225789-38-8
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

225789-38-8

NORMAN SUSDAT

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

PHOSPHINIC ACID, P,P-DIETHYL-, ALUMINUM SALT (3:1)

Structure

Physicochemical Descriptors

Cross References