EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
EPA CompTox	DTXSID2044262

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

EPA CompTox

DTXSID2044262


InChI Key	YYRMJZQKEFZXMX-UHFFFAOYSA-L
Smiles	[Ca++].OP(O)([O-])=O.OP(O)([O-])=O
InChI	InChI=1S/Ca.2H3O4P/c;21-5(2,3)4/h;2(H3,1,2,3,4)/q+2;;/p-2

InChI Key

YYRMJZQKEFZXMX-UHFFFAOYSA-L

Smiles

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

InChI

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

Property Name	Value
Molecular Formula	CaH4O8P2
Molecular Weight	233.9
AlogP	-3.5
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Polar Surface Area	161.18
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

CaH4O8P2

Molecular Weight

233.9

AlogP

-3.5

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Polar Surface Area

161.18

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	7758-23-8
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

7758-23-8

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CALCIUM BIS(DIHYDROGENORTHOPHOSPHATE)

Structure

Physicochemical Descriptors

Cross References