EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	97Z1WI3NDX
EPA CompTox	DTXSID40893099

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

97Z1WI3NDX

EPA CompTox

DTXSID40893099


InChI Key	QORWJWZARLRLPR-UHFFFAOYSA-H
Smiles	[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
InChI	InChI=1/3Ca.2H3O4P/c;;;21-5(2,3)4/h;;;2(H3,1,2,3,4)/q3*+2;;/p-6

InChI Key

QORWJWZARLRLPR-UHFFFAOYSA-H

Smiles

[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6

Property Name	Value
Molecular Formula	Ca.xH3O4P
Molecular Weight	309.79
AlogP	-6.79
Hydrogen Bond Acceptor	8.0
Polar Surface Area	172.5
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

Ca.xH3O4P

Molecular Weight

309.79

AlogP

-6.79

Hydrogen Bond Acceptor

8.0

Polar Surface Area

172.5

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	10103-46-5
NORMAN SUSDAT
FDA SRS	97Z1WI3NDX

Resources

Reference

CAS NUMBER

10103-46-5

NORMAN SUSDAT

FDA SRS

97Z1WI3NDX

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 PHOSPHATE

Structure

Physicochemical Descriptors

Cross References