EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	24H4NWX5CO
EPA CompTox	DTXSID6049640

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

24H4NWX5CO

EPA CompTox

DTXSID6049640


InChI Key	ZZNRHPMDVHETDM-UHFFFAOYSA-A
Smiles	[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-][Si](=O)O[Si]([O-])=O
InChI	InChI=1S/4Al.O5Si2.16H2O/c;;;;1-6(2)5-7(3)4;;;;;;;;;;;;;;;;/h;;;;;161H2/q4+3;-2;;;;;;;;;;;;;;;;/p-16

InChI Key

ZZNRHPMDVHETDM-UHFFFAOYSA-A

Smiles

[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-][Si](=O)O[Si]([O-])=O

InChI

InChI=1S/4Al.O5Si2.16H2O/c;;;;1-6(2)5-7(3)4;;;;;;;;;;;;;;;;/h;;;;;16*1H2/q4*+3;-2;;;;;;;;;;;;;;;;/p-16

Property Name	Value
Molecular Formula	Al4H16O21Si2
Molecular Weight	515.9
AlogP	-7.8
Hydrogen Bond Acceptor	21.0
Number of Rotational Bond	2.0
Polar Surface Area	569.49
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

Al4H16O21Si2

Molecular Weight

515.9

AlogP

-7.8

Hydrogen Bond Acceptor

21.0

Number of Rotational Bond

2.0

Polar Surface Area

569.49

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	1332-58-7
NORMAN SUSDAT
FDA SRS	24H4NWX5CO

Resources

Reference

CAS NUMBER

1332-58-7

NORMAN SUSDAT

FDA SRS

24H4NWX5CO

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

KAOLINITE

Structure

Physicochemical Descriptors

Cross References