EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID60892261

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID60892261


InChI Key	MFXMOUUKFMDYLM-UHFFFAOYSA-L
Smiles	[Zn++].OP(O)([O-])=O.OP(O)([O-])=O
InChI	InChI=1S/2H3O4P.Zn/c21-5(2,3)4;/h2(H3,1,2,3,4);/q;;+2/p-2

InChI Key

MFXMOUUKFMDYLM-UHFFFAOYSA-L

Smiles

[Zn++].OP(O)([O-])=O.OP(O)([O-])=O

InChI

InChI=1S/2H3O4P.Zn/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2

Property Name	Value
Molecular Formula	H4O8P2Zn
Molecular Weight	257.87
AlogP	-3.12
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Polar Surface Area	161.18
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

H4O8P2Zn

Molecular Weight

257.87

AlogP

-3.12

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Polar Surface Area

161.18

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	13598-37-3
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

13598-37-3

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).

ZINC BIS(DIHYDROGEN PHOSPHATE)

Structure

Physicochemical Descriptors

Cross References