terbium;trinitrate;hexahydrate

H12N3O15Tb-3 — CID 20978123

IUPACterbium;trinitrate;hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb]
InChIInChI=1S/3NO3.6H2O.Tb/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;
InChIKeyGIUMLMBEIOFJEF-UHFFFAOYSA-N
MW453.03 g/mol
LogP-5.67
Rot. Bonds

About terbium;trinitrate;hexahydrate

terbium;trinitrate;hexahydrate (PubChem CID 20978123) has the molecular formula H12N3O15Tb-3 and a molecular weight of 453.03 g/mol. Its IUPAC name is terbium;trinitrate;hexahydrate.

Molecular Properties

Compound Nameterbium;trinitrate;hexahydrate
PubChem CID20978123
Molecular FormulaH12N3O15Tb-3
Molecular Weight453.03 g/mol
Exact Mass452.95
IUPAC Nameterbium;trinitrate;hexahydrate
SMILESO.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb]
InChIInChI=1S/3NO3.6H2O.Tb/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;
InChIKeyGIUMLMBEIOFJEF-UHFFFAOYSA-N
XLogP-5.67
TPSA387.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 5-5.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

platinum(2+);dinitrate;hydrate
CID 172723097
beryllium;nitrate;tetrahydrate
CID 19806872
ytterbium;nitrate;tetrahydrate
CID 18185938
bis(yttrium(3+));hexanitrate;heptahydrate
CID 139054016
holmium;nitrate;trihydrate
CID 173334305
cobalt;nitrate;tetrahydrate
CID 173115320
rhodium(3+);trinitrate;hexahydrate
CID 159957090
dysprosium(3+);trinitrate;pentahydrate
CID 91886635
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195
dibismuth;hexanitrate;pentahydrate
CID 158893805
sodium;nitrate;tetrahydrate
CID 162201136

Frequently Asked Questions

What is the IUPAC name of terbium;trinitrate;hexahydrate?
The IUPAC name of terbium;trinitrate;hexahydrate (CID 20978123) is terbium;trinitrate;hexahydrate.
What is the SMILES notation for terbium;trinitrate;hexahydrate?
The canonical SMILES for terbium;trinitrate;hexahydrate is O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb].
What is the InChIKey of terbium;trinitrate;hexahydrate?
The InChIKey is GIUMLMBEIOFJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/3NO3.6H2O.Tb/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;.
What are the key properties of terbium;trinitrate;hexahydrate?
terbium;trinitrate;hexahydrate has a molecular weight of 453.03 g/mol, XLogP of -5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for terbium;trinitrate;hexahydrate is sourced from PubChem (CID 20978123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).