iron(2+);iron(3+);phosphonato phosphate;chloride

ClFe2O7P2 — CID 173045610

IUPACiron(2+);iron(3+);phosphonato phosphate;chloride
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Cl-].[Fe+2].[Fe+3]
InChIInChI=1S/ClH.2Fe.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h1H;;;(H2,1,2,3)(H2,4,5,6)/q;+2;+3;/p-5
InChIKeyLPGTWRBCONDUMX-UHFFFAOYSA-I
MW321.08 g/mol
LogP-6.34
Rot. Bonds2

About iron(2+);iron(3+);phosphonato phosphate;chloride

iron(2+);iron(3+);phosphonato phosphate;chloride (PubChem CID 173045610) has the molecular formula ClFe2O7P2 and a molecular weight of 321.08 g/mol. Its IUPAC name is iron(2+);iron(3+);phosphonato phosphate;chloride.

Molecular Properties

Compound Nameiron(2+);iron(3+);phosphonato phosphate;chloride
PubChem CID173045610
Molecular FormulaClFe2O7P2
Molecular Weight321.08 g/mol
Exact Mass320.75
IUPAC Nameiron(2+);iron(3+);phosphonato phosphate;chloride
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Cl-].[Fe+2].[Fe+3]
InChIInChI=1S/ClH.2Fe.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h1H;;;(H2,1,2,3)(H2,4,5,6)/q;+2;+3;/p-5
InChIKeyLPGTWRBCONDUMX-UHFFFAOYSA-I
XLogP-6.34
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.08
LogP ≤ 5-6.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
phosphonato phosphate
CID 644102
mercury;phosphonato phosphate
CID 157352193
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560

Frequently Asked Questions

What is the IUPAC name of iron(2+);iron(3+);phosphonato phosphate;chloride?
The IUPAC name of iron(2+);iron(3+);phosphonato phosphate;chloride (CID 173045610) is iron(2+);iron(3+);phosphonato phosphate;chloride.
What is the SMILES notation for iron(2+);iron(3+);phosphonato phosphate;chloride?
The canonical SMILES for iron(2+);iron(3+);phosphonato phosphate;chloride is O=P([O-])([O-])OP(=O)([O-])[O-].[Cl-].[Fe+2].[Fe+3].
What is the InChIKey of iron(2+);iron(3+);phosphonato phosphate;chloride?
The InChIKey is LPGTWRBCONDUMX-UHFFFAOYSA-I. The full InChI is InChI=1S/ClH.2Fe.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h1H;;;(H2,1,2,3)(H2,4,5,6)/q;+2;+3;/p-5.
What are the key properties of iron(2+);iron(3+);phosphonato phosphate;chloride?
iron(2+);iron(3+);phosphonato phosphate;chloride has a molecular weight of 321.08 g/mol, XLogP of -6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);iron(3+);phosphonato phosphate;chloride is sourced from PubChem (CID 173045610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).