EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	A7X6BBX98K
EPA CompTox	DTXSID80872540

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

A7X6BBX98K

EPA CompTox

DTXSID80872540


InChI Key	VEJCUEBBRSCJRP-UHFFFAOYSA-L
Smiles	[Ca++].OP([O-])(=O)OP(O)([O-])=O
InChI	InChI=1S/Ca.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2

InChI Key

VEJCUEBBRSCJRP-UHFFFAOYSA-L

Smiles

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

InChI

InChI=1S/Ca.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2

Property Name	Value
Molecular Formula	CaH2O7P2
Molecular Weight	215.89
AlogP	-2.46
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	129.95
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

CaH2O7P2

Molecular Weight

215.89

AlogP

-2.46

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

129.95

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	14866-19-4
NORMAN SUSDAT
FDA SRS	A7X6BBX98K
PubChem	56842605

Resources

Reference

CAS NUMBER

14866-19-4

NORMAN SUSDAT

FDA SRS

A7X6BBX98K

PubChem

56842605

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...

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Last update: Monday, 3 November 2025

CALCIUM DIHYDROGEN PYROPHOSPHATE

Structure

Physicochemical Descriptors

Cross References