diazanium;cerium(4+);hexanitrate;hexahydrate

H20CeN8O24 — CID 153426057

IUPACdiazanium;cerium(4+);hexanitrate;hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+4].[NH4+].[NH4+]
InChIInChI=1S/Ce.6NO3.2H3N.6H2O/c;6*2-1(3)4;;;;;;;;/h;;;;;;;2*1H3;6*1H2/q+4;6*-1;;;;;;;;/p+2
InChIKeyOYPLWHVSEVNISR-UHFFFAOYSA-P
MW656.31 g/mol
LogP-5.63
Rot. Bonds

About diazanium;cerium(4+);hexanitrate;hexahydrate

diazanium;cerium(4+);hexanitrate;hexahydrate (PubChem CID 153426057) has the molecular formula H20CeN8O24 and a molecular weight of 656.31 g/mol. Its IUPAC name is diazanium;cerium(4+);hexanitrate;hexahydrate.

Molecular Properties

Compound Namediazanium;cerium(4+);hexanitrate;hexahydrate
PubChem CID153426057
Molecular FormulaH20CeN8O24
Molecular Weight656.31 g/mol
Exact Mass655.96
IUPAC Namediazanium;cerium(4+);hexanitrate;hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+4].[NH4+].[NH4+]
InChIInChI=1S/Ce.6NO3.2H3N.6H2O/c;6*2-1(3)4;;;;;;;;/h;;;;;;;2*1H3;6*1H2/q+4;6*-1;;;;;;;;/p+2
InChIKeyOYPLWHVSEVNISR-UHFFFAOYSA-P
XLogP-5.63
TPSA659.20 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.31
LogP ≤ 5-5.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

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cobalt;nitrate;tetrahydrate
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Frequently Asked Questions

What is the IUPAC name of diazanium;cerium(4+);hexanitrate;hexahydrate?
The IUPAC name of diazanium;cerium(4+);hexanitrate;hexahydrate (CID 153426057) is diazanium;cerium(4+);hexanitrate;hexahydrate.
What is the SMILES notation for diazanium;cerium(4+);hexanitrate;hexahydrate?
The canonical SMILES for diazanium;cerium(4+);hexanitrate;hexahydrate is O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+4].[NH4+].[NH4+].
What is the InChIKey of diazanium;cerium(4+);hexanitrate;hexahydrate?
The InChIKey is OYPLWHVSEVNISR-UHFFFAOYSA-P. The full InChI is InChI=1S/Ce.6NO3.2H3N.6H2O/c;6*2-1(3)4;;;;;;;;/h;;;;;;;2*1H3;6*1H2/q+4;6*-1;;;;;;;;/p+2.
What are the key properties of diazanium;cerium(4+);hexanitrate;hexahydrate?
diazanium;cerium(4+);hexanitrate;hexahydrate has a molecular weight of 656.31 g/mol, XLogP of -5.63, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;cerium(4+);hexanitrate;hexahydrate is sourced from PubChem (CID 153426057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).