EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	QTO9JB4MDD
EPA CompTox	DTXSID2057861

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

QTO9JB4MDD

EPA CompTox

DTXSID2057861


InChI Key	FGJLAJMGHXGFDE-UHFFFAOYSA-L
Smiles	O.O.[Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O
InChI	InChI=1S/C4H6O6.2Na.2H2O/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;21H2/q;2+1;;/p-2

InChI Key

FGJLAJMGHXGFDE-UHFFFAOYSA-L

Smiles

O.O.[Na+].[Na+].OC(C(O)C([O-])=O)C([O-])=O

InChI

InChI=1S/C4H6O6.2Na.2H2O/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;2*1H2/q;2*+1;;/p-2

Property Name	Value
Molecular Formula	C4H8Na2O8
Molecular Weight	230.0
AlogP	-12.43
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	183.72
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C4H8Na2O8

Molecular Weight

230.0

AlogP

-12.43

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

183.72

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	868-18-8
NORMAN SUSDAT
FDA SRS	QTO9JB4MDD
PubChem	517351

Resources

Reference

CAS NUMBER

868-18-8

NORMAN SUSDAT

FDA SRS

QTO9JB4MDD

PubChem

517351

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

SODIUM TARTRATE

Structure

Physicochemical Descriptors

Cross References