lanthanum;lanthanum(3+);phosphoric acid;nitrate

H3La2NO7P+2 — CID 173204208

IUPAClanthanum;lanthanum(3+);phosphoric acid;nitrate
SMILESO=P(O)(O)O.O=[N+]([O-])[O-].[La+3].[La]
InChIInChI=1S/2La.NO3.H3O4P/c;;2-1(3)4;1-5(2,3)4/h;;;(H3,1,2,3,4)/q;+3;-1;
InChIKeyMCTIPUPPJBASCA-UHFFFAOYSA-N
MW437.81 g/mol
LogP-1.17
Rot. Bonds

About lanthanum;lanthanum(3+);phosphoric acid;nitrate

lanthanum;lanthanum(3+);phosphoric acid;nitrate (PubChem CID 173204208) has the molecular formula H3La2NO7P+2 and a molecular weight of 437.81 g/mol. Its IUPAC name is lanthanum;lanthanum(3+);phosphoric acid;nitrate.

Molecular Properties

Compound Namelanthanum;lanthanum(3+);phosphoric acid;nitrate
PubChem CID173204208
Molecular FormulaH3La2NO7P+2
Molecular Weight437.81 g/mol
Exact Mass437.78
IUPAC Namelanthanum;lanthanum(3+);phosphoric acid;nitrate
SMILESO=P(O)(O)O.O=[N+]([O-])[O-].[La+3].[La]
InChIInChI=1S/2La.NO3.H3O4P/c;;2-1(3)4;1-5(2,3)4/h;;;(H3,1,2,3,4)/q;+3;-1;
InChIKeyMCTIPUPPJBASCA-UHFFFAOYSA-N
XLogP-1.17
TPSA143.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lanthanum;lanthanum(3+);phosphoric acid;nitrate?
The IUPAC name of lanthanum;lanthanum(3+);phosphoric acid;nitrate (CID 173204208) is lanthanum;lanthanum(3+);phosphoric acid;nitrate.
What is the SMILES notation for lanthanum;lanthanum(3+);phosphoric acid;nitrate?
The canonical SMILES for lanthanum;lanthanum(3+);phosphoric acid;nitrate is O=P(O)(O)O.O=[N+]([O-])[O-].[La+3].[La].
What is the InChIKey of lanthanum;lanthanum(3+);phosphoric acid;nitrate?
The InChIKey is MCTIPUPPJBASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2La.NO3.H3O4P/c;;2-1(3)4;1-5(2,3)4/h;;;(H3,1,2,3,4)/q;+3;-1;.
What are the key properties of lanthanum;lanthanum(3+);phosphoric acid;nitrate?
lanthanum;lanthanum(3+);phosphoric acid;nitrate has a molecular weight of 437.81 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;lanthanum(3+);phosphoric acid;nitrate is sourced from PubChem (CID 173204208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).