azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate

C4H26Br2Cu3N4O5 — CID 6393939

IUPACazane;bromocopper;copper;bis(ethane-1,1-diol);hydrate
SMILESCC(O)O.CC(O)O.N.N.N.N.O.[Cu].[Cu]Br.[Cu]Br
InChIInChI=1S/2C2H6O2.2BrH.3Cu.4H3N.H2O/c2*1-2(3)4;;;;;;;;;;/h2*2-4H,1H3;2*1H;;;;4*1H3;1H2/q;;;;;2*+1;;;;;/p-2
InChIKeyRMZSZZDVXPCXFN-UHFFFAOYSA-L
MW560.72 g/mol
LogP0.14
Rot. Bonds

About azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate

azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate (PubChem CID 6393939) has the molecular formula C4H26Br2Cu3N4O5 and a molecular weight of 560.72 g/mol. Its IUPAC name is azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate.

Molecular Properties

Compound Nameazane;bromocopper;copper;bis(ethane-1,1-diol);hydrate
PubChem CID6393939
Molecular FormulaC4H26Br2Cu3N4O5
Molecular Weight560.72 g/mol
Exact Mass556.82
IUPAC Nameazane;bromocopper;copper;bis(ethane-1,1-diol);hydrate
SMILESCC(O)O.CC(O)O.N.N.N.N.O.[Cu].[Cu]Br.[Cu]Br
InChIInChI=1S/2C2H6O2.2BrH.3Cu.4H3N.H2O/c2*1-2(3)4;;;;;;;;;;/h2*2-4H,1H3;2*1H;;;;4*1H3;1H2/q;;;;;2*+1;;;;;/p-2
InChIKeyRMZSZZDVXPCXFN-UHFFFAOYSA-L
XLogP0.14
TPSA252.42 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 50.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate?
The IUPAC name of azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate (CID 6393939) is azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate.
What is the SMILES notation for azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate?
The canonical SMILES for azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate is CC(O)O.CC(O)O.N.N.N.N.O.[Cu].[Cu]Br.[Cu]Br.
What is the InChIKey of azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate?
The InChIKey is RMZSZZDVXPCXFN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O2.2BrH.3Cu.4H3N.H2O/c2*1-2(3)4;;;;;;;;;;/h2*2-4H,1H3;2*1H;;;;4*1H3;1H2/q;;;;;2*+1;;;;;/p-2.
What are the key properties of azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate?
azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate has a molecular weight of 560.72 g/mol, XLogP of 0.14, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bromocopper;copper;bis(ethane-1,1-diol);hydrate is sourced from PubChem (CID 6393939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).