EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Salt-form
UNII	2612HC57YE
EPA CompTox	DTXSID6027214

Keyword(s):

Natural Toxins

Molecule Category

Salt-form

UNII

2612HC57YE

EPA CompTox

DTXSID6027214


InChI Key	QXDMQSPYEZFLGF-UHFFFAOYSA-L
Smiles	[Ca+2].[O-]C(=O)C(=O)[O-]
InChI	InChI=1/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2

InChI Key

QXDMQSPYEZFLGF-UHFFFAOYSA-L

Smiles

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

InChI

InChI=1/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2

Property Name	Value
Molecular Formula	C2H2O4.Ca
Molecular Weight	127.94
AlogP	-3.89
Hydrogen Bond Acceptor	4.0
Polar Surface Area	80.26
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H2O4.Ca

Molecular Weight

127.94

AlogP

-3.89

Hydrogen Bond Acceptor

4.0

Polar Surface Area

80.26

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	563-72-4
NORMAN SUSDAT
FDA SRS	2612HC57YE
PubChem	33005
ChemSpider	30549.0

Resources

Reference

CAS NUMBER

563-72-4

NORMAN SUSDAT

FDA SRS

2612HC57YE

PubChem

33005

ChemSpider

30549.0

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 OXALATE

Structure

Physicochemical Descriptors

Cross References