nitric acid;bis(ruthenium(3+));hexaacetate

C12H19NO15Ru2 — CID 172717903

IUPACnitric acid;bis(ruthenium(3+));hexaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=[N+]([O-])O.[Ru+3].[Ru+3]
InChIInChI=1S/6C2H4O2.HNO3.2Ru/c6*1-2(3)4;2-1(3)4;;/h6*1H3,(H,3,4);(H,2,3,4);;/q;;;;;;;2*+3/p-6
InChIKeyGCOWAJWTRQQHAI-UHFFFAOYSA-H
MW619.42 g/mol
LogP-7.82
Rot. Bonds

About nitric acid;bis(ruthenium(3+));hexaacetate

nitric acid;bis(ruthenium(3+));hexaacetate (PubChem CID 172717903) has the molecular formula C12H19NO15Ru2 and a molecular weight of 619.42 g/mol. Its IUPAC name is nitric acid;bis(ruthenium(3+));hexaacetate.

Molecular Properties

Compound Namenitric acid;bis(ruthenium(3+));hexaacetate
PubChem CID172717903
Molecular FormulaC12H19NO15Ru2
Molecular Weight619.42 g/mol
Exact Mass620.88
IUPAC Namenitric acid;bis(ruthenium(3+));hexaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=[N+]([O-])O.[Ru+3].[Ru+3]
InChIInChI=1S/6C2H4O2.HNO3.2Ru/c6*1-2(3)4;2-1(3)4;;/h6*1H3,(H,3,4);(H,2,3,4);;/q;;;;;;;2*+3/p-6
InChIKeyGCOWAJWTRQQHAI-UHFFFAOYSA-H
XLogP-7.82
TPSA304.15 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.42
LogP ≤ 5-7.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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 nitric acid;bis(ruthenium(3+));hexaacetate?
The IUPAC name of nitric acid;bis(ruthenium(3+));hexaacetate (CID 172717903) is nitric acid;bis(ruthenium(3+));hexaacetate.
What is the SMILES notation for nitric acid;bis(ruthenium(3+));hexaacetate?
The canonical SMILES for nitric acid;bis(ruthenium(3+));hexaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=[N+]([O-])O.[Ru+3].[Ru+3].
What is the InChIKey of nitric acid;bis(ruthenium(3+));hexaacetate?
The InChIKey is GCOWAJWTRQQHAI-UHFFFAOYSA-H. The full InChI is InChI=1S/6C2H4O2.HNO3.2Ru/c6*1-2(3)4;2-1(3)4;;/h6*1H3,(H,3,4);(H,2,3,4);;/q;;;;;;;2*+3/p-6.
What are the key properties of nitric acid;bis(ruthenium(3+));hexaacetate?
nitric acid;bis(ruthenium(3+));hexaacetate has a molecular weight of 619.42 g/mol, XLogP of -7.82, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;bis(ruthenium(3+));hexaacetate is sourced from PubChem (CID 172717903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).