bis(yttrium(3+));hexanitrate;heptahydrate

H14N6O25Y2 — CID 139054016

IUPACbis(yttrium(3+));hexanitrate;heptahydrate
SMILESO.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-].[Y+3].[Y+3]
InChIInChI=1S/6NO3.7H2O.2Y/c6*2-1(3)4;;;;;;;;;/h;;;;;;7*1H2;;/q6*-1;;;;;;;;2*+3
InChIKeyYRMSALQVUIZAFD-UHFFFAOYSA-N
MW675.94 g/mol
LogP-7.21
Rot. Bonds

About bis(yttrium(3+));hexanitrate;heptahydrate

bis(yttrium(3+));hexanitrate;heptahydrate (PubChem CID 139054016) has the molecular formula H14N6O25Y2 and a molecular weight of 675.94 g/mol. Its IUPAC name is bis(yttrium(3+));hexanitrate;heptahydrate.

Molecular Properties

Compound Namebis(yttrium(3+));hexanitrate;heptahydrate
PubChem CID139054016
Molecular FormulaH14N6O25Y2
Molecular Weight675.94 g/mol
Exact Mass675.81
IUPAC Namebis(yttrium(3+));hexanitrate;heptahydrate
SMILESO.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-].[Y+3].[Y+3]
InChIInChI=1S/6NO3.7H2O.2Y/c6*2-1(3)4;;;;;;;;;/h;;;;;;7*1H2;;/q6*-1;;;;;;;;2*+3
InChIKeyYRMSALQVUIZAFD-UHFFFAOYSA-N
XLogP-7.21
TPSA617.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.94
LogP ≤ 5-7.21
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 bis(yttrium(3+));hexanitrate;heptahydrate?
The IUPAC name of bis(yttrium(3+));hexanitrate;heptahydrate (CID 139054016) is bis(yttrium(3+));hexanitrate;heptahydrate.
What is the SMILES notation for bis(yttrium(3+));hexanitrate;heptahydrate?
The canonical SMILES for bis(yttrium(3+));hexanitrate;heptahydrate is O.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-].[Y+3].[Y+3].
What is the InChIKey of bis(yttrium(3+));hexanitrate;heptahydrate?
The InChIKey is YRMSALQVUIZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/6NO3.7H2O.2Y/c6*2-1(3)4;;;;;;;;;/h;;;;;;7*1H2;;/q6*-1;;;;;;;;2*+3.
What are the key properties of bis(yttrium(3+));hexanitrate;heptahydrate?
bis(yttrium(3+));hexanitrate;heptahydrate has a molecular weight of 675.94 g/mol, XLogP of -7.21, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(yttrium(3+));hexanitrate;heptahydrate is sourced from PubChem (CID 139054016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).