dicopper;tetrakis(pyridin-3-ol);tetraacetate

C28H32Cu2N4O12 — CID 139067074

IUPACdicopper;tetrakis(pyridin-3-ol);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C5H5NO.4C2H4O2.2Cu/c4*7-5-2-1-3-6-4-5;4*1-2(3)4;;/h4*1-4,7H;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4
InChIKeyZCTIEUJYHQOLFZ-UHFFFAOYSA-J
MW743.67 g/mol
LogP-1.83
Rot. Bonds

About dicopper;tetrakis(pyridin-3-ol);tetraacetate

dicopper;tetrakis(pyridin-3-ol);tetraacetate (PubChem CID 139067074) has the molecular formula C28H32Cu2N4O12 and a molecular weight of 743.67 g/mol. Its IUPAC name is dicopper;tetrakis(pyridin-3-ol);tetraacetate.

Molecular Properties

Compound Namedicopper;tetrakis(pyridin-3-ol);tetraacetate
PubChem CID139067074
Molecular FormulaC28H32Cu2N4O12
Molecular Weight743.67 g/mol
Exact Mass742.06
IUPAC Namedicopper;tetrakis(pyridin-3-ol);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C5H5NO.4C2H4O2.2Cu/c4*7-5-2-1-3-6-4-5;4*1-2(3)4;;/h4*1-4,7H;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4
InChIKeyZCTIEUJYHQOLFZ-UHFFFAOYSA-J
XLogP-1.83
TPSA293.00 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.67
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(pyridin-3-ol);tetraacetate?
The IUPAC name of dicopper;tetrakis(pyridin-3-ol);tetraacetate (CID 139067074) is dicopper;tetrakis(pyridin-3-ol);tetraacetate.
What is the SMILES notation for dicopper;tetrakis(pyridin-3-ol);tetraacetate?
The canonical SMILES for dicopper;tetrakis(pyridin-3-ol);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(pyridin-3-ol);tetraacetate?
The InChIKey is ZCTIEUJYHQOLFZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5NO.4C2H4O2.2Cu/c4*7-5-2-1-3-6-4-5;4*1-2(3)4;;/h4*1-4,7H;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(pyridin-3-ol);tetraacetate?
dicopper;tetrakis(pyridin-3-ol);tetraacetate has a molecular weight of 743.67 g/mol, XLogP of -1.83, 0 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(pyridin-3-ol);tetraacetate is sourced from PubChem (CID 139067074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).