cerium(3+);phosphate;dihydrate

H4CeO6P — CID 158488180

IUPACcerium(3+);phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])[O-].[Ce+3]
InChIInChI=1S/Ce.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+3;;;/p-3
InChIKeyHIJBGPMFTQRHTL-UHFFFAOYSA-K
MW271.12 g/mol
LogP-4.47
Rot. Bonds

About cerium(3+);phosphate;dihydrate

cerium(3+);phosphate;dihydrate (PubChem CID 158488180) has the molecular formula H4CeO6P and a molecular weight of 271.12 g/mol. Its IUPAC name is cerium(3+);phosphate;dihydrate.

Molecular Properties

Compound Namecerium(3+);phosphate;dihydrate
PubChem CID158488180
Molecular FormulaH4CeO6P
Molecular Weight271.12 g/mol
Exact Mass270.88
IUPAC Namecerium(3+);phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])[O-].[Ce+3]
InChIInChI=1S/Ce.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+3;;;/p-3
InChIKeyHIJBGPMFTQRHTL-UHFFFAOYSA-K
XLogP-4.47
TPSA149.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 5-4.47
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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tripotassium;cerium(3+);diphosphate
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CID 173357752
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
trisodium;phosphate;pentahydrate
CID 19993446
sodium;cerium(3+);phosphate
CID 159028441
azanium;calcium;phosphate;hydrate
CID 19878656
CID 22993124
CID 22993124
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CID 142707779

Frequently Asked Questions

What is the IUPAC name of cerium(3+);phosphate;dihydrate?
The IUPAC name of cerium(3+);phosphate;dihydrate (CID 158488180) is cerium(3+);phosphate;dihydrate.
What is the SMILES notation for cerium(3+);phosphate;dihydrate?
The canonical SMILES for cerium(3+);phosphate;dihydrate is O.O.O=P([O-])([O-])[O-].[Ce+3].
What is the InChIKey of cerium(3+);phosphate;dihydrate?
The InChIKey is HIJBGPMFTQRHTL-UHFFFAOYSA-K. The full InChI is InChI=1S/Ce.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+3;;;/p-3.
What are the key properties of cerium(3+);phosphate;dihydrate?
cerium(3+);phosphate;dihydrate has a molecular weight of 271.12 g/mol, XLogP of -4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);phosphate;dihydrate is sourced from PubChem (CID 158488180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).