sodium;carbonic acid;iron(2+);phosphate

CH2FeNaO7P — CID 175564930

IUPACsodium;carbonic acid;iron(2+);phosphate
SMILESO=C(O)O.O=P([O-])([O-])[O-].[Fe+2].[Na+]
InChIInChI=1S/CH2O3.Fe.Na.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+1;/p-3
InChIKeySUCMZMBPTVVXJG-UHFFFAOYSA-K
MW235.83 g/mol
LogP-5.60
Rot. Bonds

About sodium;carbonic acid;iron(2+);phosphate

sodium;carbonic acid;iron(2+);phosphate (PubChem CID 175564930) has the molecular formula CH2FeNaO7P and a molecular weight of 235.83 g/mol. Its IUPAC name is sodium;carbonic acid;iron(2+);phosphate.

Molecular Properties

Compound Namesodium;carbonic acid;iron(2+);phosphate
PubChem CID175564930
Molecular FormulaCH2FeNaO7P
Molecular Weight235.83 g/mol
Exact Mass235.88
IUPAC Namesodium;carbonic acid;iron(2+);phosphate
SMILESO=C(O)O.O=P([O-])([O-])[O-].[Fe+2].[Na+]
InChIInChI=1S/CH2O3.Fe.Na.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+1;/p-3
InChIKeySUCMZMBPTVVXJG-UHFFFAOYSA-K
XLogP-5.60
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.83
LogP ≤ 5-5.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;carbonic acid;diphosphate
CID 173377819
trisodium;hydrogen peroxide;phosphate
CID 161125728
tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate
CID 172838951
trisodium;carbonic acid;sulfuric acid;phosphate
CID 173387639
potassium;disodium;oxalic acid;phosphate
CID 172720333
calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
CID 159214051
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
dicalcium;sodium;carbonate;phosphate
CID 172753689
calcium;sodium;iron(2+);manganese(2+);phosphate
CID 22287648
trisodium;phosphoric acid;phosphate
CID 172853200
trisodium;phosphate;dodecahydrate
CID 516998

Frequently Asked Questions

What is the IUPAC name of sodium;carbonic acid;iron(2+);phosphate?
The IUPAC name of sodium;carbonic acid;iron(2+);phosphate (CID 175564930) is sodium;carbonic acid;iron(2+);phosphate.
What is the SMILES notation for sodium;carbonic acid;iron(2+);phosphate?
The canonical SMILES for sodium;carbonic acid;iron(2+);phosphate is O=C(O)O.O=P([O-])([O-])[O-].[Fe+2].[Na+].
What is the InChIKey of sodium;carbonic acid;iron(2+);phosphate?
The InChIKey is SUCMZMBPTVVXJG-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O3.Fe.Na.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+1;/p-3.
What are the key properties of sodium;carbonic acid;iron(2+);phosphate?
sodium;carbonic acid;iron(2+);phosphate has a molecular weight of 235.83 g/mol, XLogP of -5.60, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbonic acid;iron(2+);phosphate is sourced from PubChem (CID 175564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).