calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate

CaCdCrCuO8SZn2+6 — CID 160835923

IUPACcalcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Cd+2].[Cu+2].[Zn+2].[Zn+2]
InChIInChI=1S/Ca.Cd.Cr.Cu.H2O4S.4O.2Zn/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);;;;;;/q2*+2;;+2;;;;2*-1;2*+2/p-2
InChIKeyPDPIQSZCAAFJDW-UHFFFAOYSA-L
MW558.87 g/mol
LogP-4.35
Rot. Bonds

About calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate

calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate (PubChem CID 160835923) has the molecular formula CaCdCrCuO8SZn2+6 and a molecular weight of 558.87 g/mol. Its IUPAC name is calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate.

Molecular Properties

Compound Namecalcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate
PubChem CID160835923
Molecular FormulaCaCdCrCuO8SZn2+6
Molecular Weight558.87 g/mol
Exact Mass556.52
IUPAC Namecalcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Cd+2].[Cu+2].[Zn+2].[Zn+2]
InChIInChI=1S/Ca.Cd.Cr.Cu.H2O4S.4O.2Zn/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);;;;;;/q2*+2;;+2;;;;2*-1;2*+2/p-2
InChIKeyPDPIQSZCAAFJDW-UHFFFAOYSA-L
XLogP-4.35
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.87
LogP ≤ 5-4.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;dicopper;dizinc;tris(dioxido(dioxo)chromium);trisulfate
CID 173097154
dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate
CID 172702995
calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate
CID 160906736
calcium;copper;dizinc;cadmium(2+);pentakis(dioxido(dioxo)chromium)
CID 159500133
distrontium;dioxido(dioxo)chromium;sulfate
CID 159434043
copper;zinc;bis(dioxido(dioxo)chromium)
CID 20544351
calcium;zinc;dichloride;sulfate
CID 174360768
molybdenum trisulfate
CID 23513550
dicalcium bis(dioxido(dioxo)chromium)
CID 159677677
octacosacopper;pentasulfate
CID 173053964
dicalcium;sulfate
CID 23431966
silver;zinc;sulfate
CID 157447446

Frequently Asked Questions

What is the IUPAC name of calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The IUPAC name of calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate (CID 160835923) is calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate.
What is the SMILES notation for calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The canonical SMILES for calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate is O=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Cd+2].[Cu+2].[Zn+2].[Zn+2].
What is the InChIKey of calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The InChIKey is PDPIQSZCAAFJDW-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.Cd.Cr.Cu.H2O4S.4O.2Zn/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);;;;;;/q2*+2;;+2;;;;2*-1;2*+2/p-2.
What are the key properties of calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate?
calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate has a molecular weight of 558.87 g/mol, XLogP of -4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate is sourced from PubChem (CID 160835923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).