EcoDrugPlus


Keyword(s):	Plastic additives
Molecule Category	Salt-form
EPA CompTox	DTXSID2094005

Keyword(s):

Plastic additives

Molecule Category

Salt-form

EPA CompTox

DTXSID2094005


InChI Key	RGPUVZXXZFNFBF-UHFFFAOYSA-K
Smiles	[Al+3].OP(O)([O-])=O.OP(O)([O-])=O.OP(O)([O-])=O
InChI	InChI=1S/Al.3H3O4P/c;31-5(2,3)4/h;3(H3,1,2,3,4)/q+3;;;/p-3

InChI Key

RGPUVZXXZFNFBF-UHFFFAOYSA-K

Smiles

[Al+3].OP(O)([O-])=O.OP(O)([O-])=O.OP(O)([O-])=O

InChI

InChI=1S/Al.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3

Property Name	Value
Molecular Formula	AlH6O12P3
Molecular Weight	317.89
AlogP	-5.06
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	6.0
Polar Surface Area	241.77
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

AlH6O12P3

Molecular Weight

317.89

AlogP

-5.06

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

6.0

Polar Surface Area

241.77

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	13530-50-2
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

13530-50-2

NORMAN SUSDAT


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

ALUMINIUM TRIS(DIHYDROGEN PHOSPHATE)

Structure

Physicochemical Descriptors

Cross References