diazanium;dicopper;bis(zirconium(4+));heptacarbonate

C7H8Cu2N2O21Zr2 — CID 173215950

IUPACdiazanium;dicopper;bis(zirconium(4+));heptacarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Cu+2].[Cu+2].[NH4+].[NH4+].[Zr+4].[Zr+4]
InChIInChI=1S/7CH2O3.2Cu.2H3N.2Zr/c7*2-1(3)4;;;;;;/h7*(H2,2,3,4);;;2*1H3;;/q;;;;;;;2*+2;;;2*+4/p-12
InChIKeyKEOYOUDBCPKXND-UHFFFAOYSA-B
MW765.67 g/mol
LogP-16.39
Rot. Bonds

About diazanium;dicopper;bis(zirconium(4+));heptacarbonate

diazanium;dicopper;bis(zirconium(4+));heptacarbonate (PubChem CID 173215950) has the molecular formula C7H8Cu2N2O21Zr2 and a molecular weight of 765.67 g/mol. Its IUPAC name is diazanium;dicopper;bis(zirconium(4+));heptacarbonate.

Molecular Properties

Compound Namediazanium;dicopper;bis(zirconium(4+));heptacarbonate
PubChem CID173215950
Molecular FormulaC7H8Cu2N2O21Zr2
Molecular Weight765.67 g/mol
Exact Mass761.63
IUPAC Namediazanium;dicopper;bis(zirconium(4+));heptacarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Cu+2].[Cu+2].[NH4+].[NH4+].[Zr+4].[Zr+4]
InChIInChI=1S/7CH2O3.2Cu.2H3N.2Zr/c7*2-1(3)4;;;;;;/h7*(H2,2,3,4);;;2*1H3;;/q;;;;;;;2*+2;;;2*+4/p-12
InChIKeyKEOYOUDBCPKXND-UHFFFAOYSA-B
XLogP-16.39
TPSA515.33 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.67
LogP ≤ 5-16.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

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Related Compounds

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CID 71345932
CID 71345932
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Frequently Asked Questions

What is the IUPAC name of diazanium;dicopper;bis(zirconium(4+));heptacarbonate?
The IUPAC name of diazanium;dicopper;bis(zirconium(4+));heptacarbonate (CID 173215950) is diazanium;dicopper;bis(zirconium(4+));heptacarbonate.
What is the SMILES notation for diazanium;dicopper;bis(zirconium(4+));heptacarbonate?
The canonical SMILES for diazanium;dicopper;bis(zirconium(4+));heptacarbonate is O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Cu+2].[Cu+2].[NH4+].[NH4+].[Zr+4].[Zr+4].
What is the InChIKey of diazanium;dicopper;bis(zirconium(4+));heptacarbonate?
The InChIKey is KEOYOUDBCPKXND-UHFFFAOYSA-B. The full InChI is InChI=1S/7CH2O3.2Cu.2H3N.2Zr/c7*2-1(3)4;;;;;;/h7*(H2,2,3,4);;;2*1H3;;/q;;;;;;;2*+2;;;2*+4/p-12.
What are the key properties of diazanium;dicopper;bis(zirconium(4+));heptacarbonate?
diazanium;dicopper;bis(zirconium(4+));heptacarbonate has a molecular weight of 765.67 g/mol, XLogP of -16.39, 0 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;dicopper;bis(zirconium(4+));heptacarbonate is sourced from PubChem (CID 173215950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).