disodium;iron(2+);phosphonato phosphate;phosphoric acid

H3FeNa2O11P3 — CID 175805156

IUPACdisodium;iron(2+);phosphonato phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P([O-])([O-])OP(=O)([O-])[O-].[Fe+2].[Na+].[Na+]
InChIInChI=1S/Fe.2Na.H4O7P2.H3O4P/c;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q+2;2*+1;;/p-4
InChIKeyJAFXWONSQMQYKV-UHFFFAOYSA-J
MW373.76 g/mol
LogP-10.26
Rot. Bonds2

About disodium;iron(2+);phosphonato phosphate;phosphoric acid

disodium;iron(2+);phosphonato phosphate;phosphoric acid (PubChem CID 175805156) has the molecular formula H3FeNa2O11P3 and a molecular weight of 373.76 g/mol. Its IUPAC name is disodium;iron(2+);phosphonato phosphate;phosphoric acid.

Molecular Properties

Compound Namedisodium;iron(2+);phosphonato phosphate;phosphoric acid
PubChem CID175805156
Molecular FormulaH3FeNa2O11P3
Molecular Weight373.76 g/mol
Exact Mass373.80
IUPAC Namedisodium;iron(2+);phosphonato phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P([O-])([O-])OP(=O)([O-])[O-].[Fe+2].[Na+].[Na+]
InChIInChI=1S/Fe.2Na.H4O7P2.H3O4P/c;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q+2;2*+1;;/p-4
InChIKeyJAFXWONSQMQYKV-UHFFFAOYSA-J
XLogP-10.26
TPSA213.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 5-10.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phosphonato phosphate
CID 644102
lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
CID 174059070
strontium;dihydrogen phosphate;indium(3+);phosphonato phosphate
CID 175330961
magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
CID 175387315
iron(2+);iron(3+);phosphonato phosphate;chloride
CID 173045610
copper;disodium;phosphonato phosphate
CID 173106560
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
phosphonato phosphate;decahydrate
CID 22385493
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687

Frequently Asked Questions

What is the IUPAC name of disodium;iron(2+);phosphonato phosphate;phosphoric acid?
The IUPAC name of disodium;iron(2+);phosphonato phosphate;phosphoric acid (CID 175805156) is disodium;iron(2+);phosphonato phosphate;phosphoric acid.
What is the SMILES notation for disodium;iron(2+);phosphonato phosphate;phosphoric acid?
The canonical SMILES for disodium;iron(2+);phosphonato phosphate;phosphoric acid is O=P(O)(O)O.O=P([O-])([O-])OP(=O)([O-])[O-].[Fe+2].[Na+].[Na+].
What is the InChIKey of disodium;iron(2+);phosphonato phosphate;phosphoric acid?
The InChIKey is JAFXWONSQMQYKV-UHFFFAOYSA-J. The full InChI is InChI=1S/Fe.2Na.H4O7P2.H3O4P/c;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q+2;2*+1;;/p-4.
What are the key properties of disodium;iron(2+);phosphonato phosphate;phosphoric acid?
disodium;iron(2+);phosphonato phosphate;phosphoric acid has a molecular weight of 373.76 g/mol, XLogP of -10.26, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;iron(2+);phosphonato phosphate;phosphoric acid is sourced from PubChem (CID 175805156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).