octacosacopper;pentasulfate

Cu28O20S5+46 — CID 173053964

IUPACoctacosacopper;pentasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/28Cu.5H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*1-5(2,3)4/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*(H2,1,2,3,4)/q28*+2;;;;;/p-10
InChIKeyNNZPIIYZVAGJMD-UHFFFAOYSA-D
MW2259.60 g/mol
LogP-6.76
Rot. Bonds

About octacosacopper;pentasulfate

octacosacopper;pentasulfate (PubChem CID 173053964) has the molecular formula Cu28O20S5+46 and a molecular weight of 2259.60 g/mol. Its IUPAC name is octacosacopper;pentasulfate.

Molecular Properties

Compound Nameoctacosacopper;pentasulfate
PubChem CID173053964
Molecular FormulaCu28O20S5+46
Molecular Weight2259.60 g/mol
Exact Mass2241.76
IUPAC Nameoctacosacopper;pentasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/28Cu.5H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*1-5(2,3)4/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*(H2,1,2,3,4)/q28*+2;;;;;/p-10
InChIKeyNNZPIIYZVAGJMD-UHFFFAOYSA-D
XLogP-6.76
TPSA401.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002259.60
LogP ≤ 5-6.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

copper;sulfate;hydrofluoride
CID 158262583
copper;tetrasodium;trisulfate
CID 158226440
copper;disulfate;hydrate
CID 44601134
copper;sulfate;hexahydrate
CID 22348481
copper;sulfate;pentahydrochloride
CID 172808383
hexadecasilver;octasulfate
CID 174664647
azanium;copper;chloride;sulfate
CID 159979715
copper;silane;sulfate;pentahydrate
CID 174899349
dicalcium;sulfate
CID 23431966
dilithium;cobalt;sulfate
CID 174060420
silver;zinc;sulfate
CID 157447446
CID 23615458
CID 23615458

Frequently Asked Questions

What is the IUPAC name of octacosacopper;pentasulfate?
The IUPAC name of octacosacopper;pentasulfate (CID 173053964) is octacosacopper;pentasulfate.
What is the SMILES notation for octacosacopper;pentasulfate?
The canonical SMILES for octacosacopper;pentasulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of octacosacopper;pentasulfate?
The InChIKey is NNZPIIYZVAGJMD-UHFFFAOYSA-D. The full InChI is InChI=1S/28Cu.5H2O4S/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*1-5(2,3)4/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*(H2,1,2,3,4)/q28*+2;;;;;/p-10.
What are the key properties of octacosacopper;pentasulfate?
octacosacopper;pentasulfate has a molecular weight of 2259.60 g/mol, XLogP of -6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for octacosacopper;pentasulfate is sourced from PubChem (CID 173053964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).