1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

iron(2+);iron(3+);triphosphate;hydrate

2.1.2 InChI

InChI=1S/4Fe.3H3O4P.H2O/c;;;;3*1-5(2,3)4;/h;;;;3*(H3,1,2,3,4);1H2/q3*+2;+3;;;;/p-9

2.1.3 InChI Key

KSBUVOWZWDRJFJ-UHFFFAOYSA-E

2.1.4 Canonical SMILES

O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Fe+2].[Fe+2].[Fe+2].[Fe+3]

2.2 Other Identifiers

2.2.1 UNII

91GQH8I5F7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 91gqh8i5f7

2. Q27271394

2.4 Create Date

2019-09-23

3 Chemical and Physical Properties

Molecular Formula	Fe₄H₂O₁₃P₃
Molecular Weight	526.31 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	0
Exact Mass	526.61057 g/mol
Monoisotopic Mass	526.61057 g/mol
Topological Polar Surface Area	260 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	36.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	8

Ferrosoferric Phosphate