gadolinium;tris(nitric acid);pentahydrate

H13GdN3O14 — CID 131880314

IUPACgadolinium;tris(nitric acid);pentahydrate
SMILESO.O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Gd]
InChIInChI=1S/Gd.3HNO3.5H2O/c;3*2-1(3)4;;;;;/h;3*(H,2,3,4);5*1H2
InChIKeyZIYMDXVFISTODC-UHFFFAOYSA-N
MW436.36 g/mol
LogP-5.17
Rot. Bonds

About gadolinium;tris(nitric acid);pentahydrate

gadolinium;tris(nitric acid);pentahydrate (PubChem CID 131880314) has the molecular formula H13GdN3O14 and a molecular weight of 436.36 g/mol. Its IUPAC name is gadolinium;tris(nitric acid);pentahydrate.

Molecular Properties

Compound Namegadolinium;tris(nitric acid);pentahydrate
PubChem CID131880314
Molecular FormulaH13GdN3O14
Molecular Weight436.36 g/mol
Exact Mass436.96
IUPAC Namegadolinium;tris(nitric acid);pentahydrate
SMILESO.O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Gd]
InChIInChI=1S/Gd.3HNO3.5H2O/c;3*2-1(3)4;;;;;/h;3*(H,2,3,4);5*1H2
InChIKeyZIYMDXVFISTODC-UHFFFAOYSA-N
XLogP-5.17
TPSA347.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 5-5.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze gadolinium;tris(nitric acid);pentahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
tris(nitric acid);ytterbium;pentahydrate
CID 131852866
bis(nitric acid);uranium;dihydrate
CID 170844297
bis(nitric acid);hydrate;hydrofluoride
CID 174552935
bis(nitric acid);palladium(2+);hydrate
CID 169410102
iron;nitric acid;nonahydrate
CID 161165031
nickel;nitric acid;heptahydrate
CID 173389970
nickel;nitric acid;nonahydrate
CID 173200755
tris(nitric acid);yttrium;tetrahydrate
CID 131873138
nitric acid;vanadium;dihydrate
CID 174936942
CID 170924127
CID 170924127

Frequently Asked Questions

What is the IUPAC name of gadolinium;tris(nitric acid);pentahydrate?
The IUPAC name of gadolinium;tris(nitric acid);pentahydrate (CID 131880314) is gadolinium;tris(nitric acid);pentahydrate.
What is the SMILES notation for gadolinium;tris(nitric acid);pentahydrate?
The canonical SMILES for gadolinium;tris(nitric acid);pentahydrate is O.O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Gd].
What is the InChIKey of gadolinium;tris(nitric acid);pentahydrate?
The InChIKey is ZIYMDXVFISTODC-UHFFFAOYSA-N. The full InChI is InChI=1S/Gd.3HNO3.5H2O/c;3*2-1(3)4;;;;;/h;3*(H,2,3,4);5*1H2.
What are the key properties of gadolinium;tris(nitric acid);pentahydrate?
gadolinium;tris(nitric acid);pentahydrate has a molecular weight of 436.36 g/mol, XLogP of -5.17, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium;tris(nitric acid);pentahydrate is sourced from PubChem (CID 131880314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).