EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	EE90ONI6FF
EPA CompTox	DTXSID8042501

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

EE90ONI6FF

EPA CompTox

DTXSID8042501


InChI Key	PJAHUDTUZRZBKM-UHFFFAOYSA-K
Smiles	O.[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
InChI	InChI=1S/C6H8O7.3K.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3

InChI Key

PJAHUDTUZRZBKM-UHFFFAOYSA-K

Smiles

O.[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

InChI

InChI=1S/C6H8O7.3K.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3

Property Name	Value
Molecular Formula	C6H7K3O8
Molecular Weight	323.91
AlogP	-15.07
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	172.12
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C6H7K3O8

Molecular Weight

323.91

AlogP

-15.07

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

172.12

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	6100-05-6
NORMAN SUSDAT
FDA SRS	EE90ONI6FF
PubChem	2735208

Resources

Reference

CAS NUMBER

6100-05-6

NORMAN SUSDAT

FDA SRS

EE90ONI6FF

PubChem

2735208

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

TRIPOTASSIUM CITRATE MONOHYDRATE

Structure

Physicochemical Descriptors

Cross References