EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
EPA CompTox	DTXSID1029671

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

EPA CompTox

DTXSID1029671


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

InChI Key

GWBBVOVXJZATQQ-UHFFFAOYSA-L

Smiles

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

InChI

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

Property Name	Value
Molecular Formula	C2H6Na2O7P2
Molecular Weight	249.94
AlogP	-8.25
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	140.95
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C2H6Na2O7P2

Molecular Weight

249.94

AlogP

-8.25

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

140.95

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	7414-83-7
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

7414-83-7

NORMAN SUSDAT

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

PHOSPHONIC ACID, P,P'-(1-HYDROXYETHYLIDENE)BIS-, SODIUM SALT (1:2)

Structure

Physicochemical Descriptors

Cross References