bis(lanthanum(3+));oxido hydrogen carbonate;carbonate

C2HLa2O7+3 — CID 159767634

IUPACbis(lanthanum(3+));oxido hydrogen carbonate;carbonate
SMILESO=C(O)O[O-].O=C([O-])[O-].[La+3].[La+3]
InChIInChI=1S/CH2O4.CH2O3.2La/c2-1(3)5-4;2-1(3)4;;/h4H,(H,2,3);(H2,2,3,4);;/q;;2*+3/p-3
InChIKeyNFRZMTPXLHLFGG-UHFFFAOYSA-K
MW414.84 g/mol
LogP-3.49
Rot. Bonds

About bis(lanthanum(3+));oxido hydrogen carbonate;carbonate

bis(lanthanum(3+));oxido hydrogen carbonate;carbonate (PubChem CID 159767634) has the molecular formula C2HLa2O7+3 and a molecular weight of 414.84 g/mol. Its IUPAC name is bis(lanthanum(3+));oxido hydrogen carbonate;carbonate.

Molecular Properties

Compound Namebis(lanthanum(3+));oxido hydrogen carbonate;carbonate
PubChem CID159767634
Molecular FormulaC2HLa2O7+3
Molecular Weight414.84 g/mol
Exact Mass414.78
IUPAC Namebis(lanthanum(3+));oxido hydrogen carbonate;carbonate
SMILESO=C(O)O[O-].O=C([O-])[O-].[La+3].[La+3]
InChIInChI=1S/CH2O4.CH2O3.2La/c2-1(3)5-4;2-1(3)4;;/h4H,(H,2,3);(H2,2,3,4);;/q;;2*+3/p-3
InChIKeyNFRZMTPXLHLFGG-UHFFFAOYSA-K
XLogP-3.49
TPSA132.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 5-3.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

lanthanum(3+);oxido hydrogen carbonate
CID 54687071
aluminum oxido hydrogen carbonate
CID 54682965
cerium(3+);oxido hydrogen carbonate
CID 54723990
strontium oxido hydrogen carbonate
CID 174737263
cerium(3+);oxido hydrogen carbonate
CID 159722511
magnesium;iron(3+);oxido hydrogen carbonate
CID 173050087
cobalt(2+);oxido hydrogen carbonate;hydrate
CID 175469845
lanthanum(3+);manganese(2+);carbonate
CID 167635751
calcium;ruthenium;carbonate
CID 87309849
sodium;lanthanum(3+);dicarbonate
CID 14550042
diazanium;oxido carbonate
CID 22665386
triacontacalcium;carbonic acid;triacontacarbonate
CID 173108074

Frequently Asked Questions

What is the IUPAC name of bis(lanthanum(3+));oxido hydrogen carbonate;carbonate?
The IUPAC name of bis(lanthanum(3+));oxido hydrogen carbonate;carbonate (CID 159767634) is bis(lanthanum(3+));oxido hydrogen carbonate;carbonate.
What is the SMILES notation for bis(lanthanum(3+));oxido hydrogen carbonate;carbonate?
The canonical SMILES for bis(lanthanum(3+));oxido hydrogen carbonate;carbonate is O=C(O)O[O-].O=C([O-])[O-].[La+3].[La+3].
What is the InChIKey of bis(lanthanum(3+));oxido hydrogen carbonate;carbonate?
The InChIKey is NFRZMTPXLHLFGG-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O4.CH2O3.2La/c2-1(3)5-4;2-1(3)4;;/h4H,(H,2,3);(H2,2,3,4);;/q;;2*+3/p-3.
What are the key properties of bis(lanthanum(3+));oxido hydrogen carbonate;carbonate?
bis(lanthanum(3+));oxido hydrogen carbonate;carbonate has a molecular weight of 414.84 g/mol, XLogP of -3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(lanthanum(3+));oxido hydrogen carbonate;carbonate is sourced from PubChem (CID 159767634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).