bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate

C3H16La2O22P2 — CID 18442146

IUPACbis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate
SMILESO.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=P(O)(O)O.O=P(O)(O)O.[La+3].[La+3]
InChIInChI=1S/3CH2O3.2La.2H3O4P.5H2O/c3*2-1(3)4;;;2*1-5(2,3)4;;;;;/h3*(H2,2,3,4);;;2*(H3,1,2,3,4);5*1H2/q;;;2*+3;;;;;;;/p-6
InChIKeyCBQKCCLRQIYIPN-UHFFFAOYSA-H
MW743.90 g/mol
LogP-13.32
Rot. Bonds

About bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate

bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate (PubChem CID 18442146) has the molecular formula C3H16La2O22P2 and a molecular weight of 743.90 g/mol. Its IUPAC name is bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate.

Molecular Properties

Compound Namebis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate
PubChem CID18442146
Molecular FormulaC3H16La2O22P2
Molecular Weight743.90 g/mol
Exact Mass743.77
IUPAC Namebis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate
SMILESO.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=P(O)(O)O.O=P(O)(O)O.[La+3].[La+3]
InChIInChI=1S/3CH2O3.2La.2H3O4P.5H2O/c3*2-1(3)4;;;2*1-5(2,3)4;;;;;/h3*(H2,2,3,4);;;2*(H3,1,2,3,4);5*1H2/q;;;2*+3;;;;;;;/p-6
InChIKeyCBQKCCLRQIYIPN-UHFFFAOYSA-H
XLogP-13.32
TPSA502.59 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.90
LogP ≤ 5-13.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;zirconium(4+);dicarbonate
CID 174847896
calcium;azane;phosphoric acid;carbonate
CID 173259238
lanthanum(3+);carbonate;hydroxide;hydrate
CID 173093313
phosphoric acid;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
dizinc;hydrogen phosphate;carbonate
CID 142022309
calcium;sodium;dihydrogen phosphate;carbonate
CID 142655218
bis(neodymium(3+));tricarbonate;decahydrate
CID 163951984
dimagnesium;dicarbonate;hydrate
CID 157388040
tris(platinum(2+));dicarbonate;dihydroxide
CID 173036654

Frequently Asked Questions

What is the IUPAC name of bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate?
The IUPAC name of bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate (CID 18442146) is bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate.
What is the SMILES notation for bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate?
The canonical SMILES for bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate is O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=P(O)(O)O.O=P(O)(O)O.[La+3].[La+3].
What is the InChIKey of bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate?
The InChIKey is CBQKCCLRQIYIPN-UHFFFAOYSA-H. The full InChI is InChI=1S/3CH2O3.2La.2H3O4P.5H2O/c3*2-1(3)4;;;2*1-5(2,3)4;;;;;/h3*(H2,2,3,4);;;2*(H3,1,2,3,4);5*1H2/q;;;2*+3;;;;;;;/p-6.
What are the key properties of bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate?
bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate has a molecular weight of 743.90 g/mol, XLogP of -13.32, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate is sourced from PubChem (CID 18442146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).