dipotassium;thorium(4+);hexanitrate

K2N6O18Th — CID 139125755

IUPACdipotassium;thorium(4+);hexanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[K+].[K+].[Th+4]
InChIInChI=1S/2K.6NO3.Th/c;;6*2-1(3)4;/q2*+1;6*-1;+4
InChIKeyOJAZVFYBXKFFBB-UHFFFAOYSA-N
MW682.26 g/mol
LogP-7.43
Rot. Bonds

About dipotassium;thorium(4+);hexanitrate

dipotassium;thorium(4+);hexanitrate (PubChem CID 139125755) has the molecular formula K2N6O18Th and a molecular weight of 682.26 g/mol. Its IUPAC name is dipotassium;thorium(4+);hexanitrate.

Molecular Properties

Compound Namedipotassium;thorium(4+);hexanitrate
PubChem CID139125755
Molecular FormulaK2N6O18Th
Molecular Weight682.26 g/mol
Exact Mass681.89
IUPAC Namedipotassium;thorium(4+);hexanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[K+].[K+].[Th+4]
InChIInChI=1S/2K.6NO3.Th/c;;6*2-1(3)4;/q2*+1;6*-1;+4
InChIKeyOJAZVFYBXKFFBB-UHFFFAOYSA-N
XLogP-7.43
TPSA397.20 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.26
LogP ≤ 5-7.43
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of dipotassium;thorium(4+);hexanitrate?
The IUPAC name of dipotassium;thorium(4+);hexanitrate (CID 139125755) is dipotassium;thorium(4+);hexanitrate.
What is the SMILES notation for dipotassium;thorium(4+);hexanitrate?
The canonical SMILES for dipotassium;thorium(4+);hexanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[K+].[K+].[Th+4].
What is the InChIKey of dipotassium;thorium(4+);hexanitrate?
The InChIKey is OJAZVFYBXKFFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2K.6NO3.Th/c;;6*2-1(3)4;/q2*+1;6*-1;+4.
What are the key properties of dipotassium;thorium(4+);hexanitrate?
dipotassium;thorium(4+);hexanitrate has a molecular weight of 682.26 g/mol, XLogP of -7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;thorium(4+);hexanitrate is sourced from PubChem (CID 139125755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).