tricalcium;fluoride;phosphate

Ca3FO4P+2 — CID 157125921

IUPACtricalcium;fluoride;phosphate
SMILESO=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[F-]
InChIInChI=1S/3Ca.FH.H3O4P/c;;;;1-5(2,3)4/h;;;1H;(H3,1,2,3,4)/q3*+2;;/p-4
InChIKeyAIMSLIMYUMHJMZ-UHFFFAOYSA-J
MW234.20 g/mol
LogP-6.96
Rot. Bonds

About tricalcium;fluoride;phosphate

tricalcium;fluoride;phosphate (PubChem CID 157125921) has the molecular formula Ca3FO4P+2 and a molecular weight of 234.20 g/mol. Its IUPAC name is tricalcium;fluoride;phosphate.

Molecular Properties

Compound Nametricalcium;fluoride;phosphate
PubChem CID157125921
Molecular FormulaCa3FO4P+2
Molecular Weight234.20 g/mol
Exact Mass233.84
IUPAC Nametricalcium;fluoride;phosphate
SMILESO=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[F-]
InChIInChI=1S/3Ca.FH.H3O4P/c;;;;1-5(2,3)4/h;;;1H;(H3,1,2,3,4)/q3*+2;;/p-4
InChIKeyAIMSLIMYUMHJMZ-UHFFFAOYSA-J
XLogP-6.96
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-6.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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molybdenum;tris(vanadium);undecaphosphate
CID 18374020
tetracalcium;hydride;diphosphate
CID 173034518
tricalcium;zirconium(4+);phosphate
CID 172787637
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azanium;iron;fluoride;phosphate
CID 3014654
tetracalcium;hydride;zinc;diphosphate
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azanium;calcium;phosphate;hydrate
CID 19878656

Frequently Asked Questions

What is the IUPAC name of tricalcium;fluoride;phosphate?
The IUPAC name of tricalcium;fluoride;phosphate (CID 157125921) is tricalcium;fluoride;phosphate.
What is the SMILES notation for tricalcium;fluoride;phosphate?
The canonical SMILES for tricalcium;fluoride;phosphate is O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[F-].
What is the InChIKey of tricalcium;fluoride;phosphate?
The InChIKey is AIMSLIMYUMHJMZ-UHFFFAOYSA-J. The full InChI is InChI=1S/3Ca.FH.H3O4P/c;;;;1-5(2,3)4/h;;;1H;(H3,1,2,3,4)/q3*+2;;/p-4.
What are the key properties of tricalcium;fluoride;phosphate?
tricalcium;fluoride;phosphate has a molecular weight of 234.20 g/mol, XLogP of -6.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;fluoride;phosphate is sourced from PubChem (CID 157125921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).