EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Human Neurotoxin
Molecule Category	Salt-form
UNII	CVI36ET72E
EPA CompTox	DTXSID3029732

Keyword(s):

Food Contact Chemicals ; Human Neurotoxin

Molecule Category

Salt-form

UNII

CVI36ET72E

EPA CompTox

DTXSID3029732


InChI Key	DHQZXBINJKHIPR-UHFFFAOYSA-J
Smiles	[K+].[K+].[K+].[K+].CC(O)(P([O-])([O-])=O)P([O-])([O-])=O
InChI	InChI=1S/C2H8O7P2.4K/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4

InChI Key

DHQZXBINJKHIPR-UHFFFAOYSA-J

Smiles

[K+].[K+].[K+].[K+].CC(O)(P([O-])([O-])=O)P([O-])([O-])=O

InChI

InChI=1S/C2H8O7P2.4K/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4

Property Name	Value
Molecular Formula	C2H4K4O7P2
Molecular Weight	357.8
AlogP	-15.5
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	146.61
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C2H4K4O7P2

Molecular Weight

357.8

AlogP

-15.5

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

146.61

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	14860-53-8
NORMAN SUSDAT
FDA SRS	CVI36ET72E

Resources

Reference

CAS NUMBER

14860-53-8

NORMAN SUSDAT

FDA SRS

CVI36ET72E

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

PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, TETRAPOTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References