dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate

Ca2CdCrCuO8S+4 — CID 172702995

IUPACdicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Ca+2].[Cd+2].[Cu+2]
InChIInChI=1S/2Ca.Cd.Cr.Cu.H2O4S.4O/c;;;;;1-5(2,3)4;;;;/h;;;;;(H2,1,2,3,4);;;;/q3*+2;;+2;;;;2*-1/p-2
InChIKeyDFDUCKZLACHYIT-UHFFFAOYSA-L
MW468.17 g/mol
LogP-4.72
Rot. Bonds

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

dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate (PubChem CID 172702995) has the molecular formula Ca2CdCrCuO8S+4 and a molecular weight of 468.17 g/mol. Its IUPAC name is dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate.

Molecular Properties

Compound Namedicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate
PubChem CID172702995
Molecular FormulaCa2CdCrCuO8S+4
Molecular Weight468.17 g/mol
Exact Mass468.63
IUPAC Namedicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Ca+2].[Cd+2].[Cu+2]
InChIInChI=1S/2Ca.Cd.Cr.Cu.H2O4S.4O/c;;;;;1-5(2,3)4;;;;/h;;;;;(H2,1,2,3,4);;;;/q3*+2;;+2;;;;2*-1/p-2
InChIKeyDFDUCKZLACHYIT-UHFFFAOYSA-L
XLogP-4.72
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.17
LogP ≤ 5-4.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate
CID 160835923
calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate
CID 160906736
dicalcium;dicopper;dizinc;tris(dioxido(dioxo)chromium);trisulfate
CID 173097154
distrontium;dioxido(dioxo)chromium;sulfate
CID 159434043
calcium;copper;dizinc;cadmium(2+);pentakis(dioxido(dioxo)chromium)
CID 159500133
dicalcium bis(dioxido(dioxo)chromium)
CID 159677677
dicalcium;sulfate
CID 23431966
octacosacopper;pentasulfate
CID 173053964
molybdenum trisulfate
CID 23513550
calcium;dioxido(dioxo)chromium;sulfuric acid
CID 172718284
copper;disulfate;hydrate
CID 44601134
lithium;chromium(3+);bis(dioxido(dioxo)chromium)
CID 175043134

Frequently Asked Questions

What is the IUPAC name of dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The IUPAC name of dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate (CID 172702995) is dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate.
What is the SMILES notation for dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The canonical SMILES for dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate is O=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Ca+2].[Cd+2].[Cu+2].
What is the InChIKey of dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The InChIKey is DFDUCKZLACHYIT-UHFFFAOYSA-L. The full InChI is InChI=1S/2Ca.Cd.Cr.Cu.H2O4S.4O/c;;;;;1-5(2,3)4;;;;/h;;;;;(H2,1,2,3,4);;;;/q3*+2;;+2;;;;2*-1/p-2.
What are the key properties of dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate?
dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate has a molecular weight of 468.17 g/mol, XLogP of -4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate is sourced from PubChem (CID 172702995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).