tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)

C24H64Cu4N4O12+12 — CID 54608509

IUPACtetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)
SMILES[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+]
InChIInChI=1S/4C6H14NO3.4Cu/c4*8-4-1-7(2-5-9)3-6-10;;;;/h4*8-9H,1-6H2;;;;/q4*-1;4*+2/p+8
InChIKeyARGYUKIIHUCCHG-UHFFFAOYSA-V
MW854.98 g/mol
LogP-11.62
Rot. Bonds24

About tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)

tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate) (PubChem CID 54608509) has the molecular formula C24H64Cu4N4O12+12 and a molecular weight of 854.98 g/mol. Its IUPAC name is tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate).

Molecular Properties

Compound Nametetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)
PubChem CID54608509
Molecular FormulaC24H64Cu4N4O12+12
Molecular Weight854.98 g/mol
Exact Mass852.16
IUPAC Nametetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)
SMILES[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+]
InChIInChI=1S/4C6H14NO3.4Cu/c4*8-4-1-7(2-5-9)3-6-10;;;;/h4*8-9H,1-6H2;;;;/q4*-1;4*+2/p+8
InChIKeyARGYUKIIHUCCHG-UHFFFAOYSA-V
XLogP-11.62
TPSA288.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500854.98
LogP ≤ 5-11.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)?
The IUPAC name of tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate) (CID 54608509) is tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate).
What is the SMILES notation for tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)?
The canonical SMILES for tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate) is [Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].[O-]CCN(CC[OH2+])CC[OH2+].
What is the InChIKey of tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)?
The InChIKey is ARGYUKIIHUCCHG-UHFFFAOYSA-V. The full InChI is InChI=1S/4C6H14NO3.4Cu/c4*8-4-1-7(2-5-9)3-6-10;;;;/h4*8-9H,1-6H2;;;;/q4*-1;4*+2/p+8.
What are the key properties of tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate)?
tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate) has a molecular weight of 854.98 g/mol, XLogP of -11.62, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;tetrakis(2-[bis(2-oxonioethyl)amino]ethanolate) is sourced from PubChem (CID 54608509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).