EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
EPA CompTox	DTXSID4075035

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

EPA CompTox

DTXSID4075035


InChI Key	XPPKVPWEQAFLFU-UHFFFAOYSA-N
Smiles	[NH4+].[Mn+3].[O-][P]([O-])(=O)O[P]([O-])([O-])=O
InChI	InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

InChI Key

XPPKVPWEQAFLFU-UHFFFAOYSA-N

Smiles

[NH4+].[Mn+3].[O-][P]([O-])(=O)O[P]([O-])([O-])=O

InChI

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

Property Name	Value
Molecular Formula	H4O7P2
Molecular Weight	177.94
AlogP	-0.81
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	124.29
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

H4O7P2

Molecular Weight

177.94

AlogP

-0.81

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

124.29

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	2466-09-3
NORMAN SUSDAT
PubChem	1023
ChemSpider	996.0

Resources

Reference

CAS NUMBER

2466-09-3

NORMAN SUSDAT

PubChem

1023

ChemSpider

996.0

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

DIPHOSPHORIC ACID

Structure

Physicochemical Descriptors

Cross References