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

CaCdCrO8S — CID 160906736

IUPACcalcium;cadmium(2+);dioxido(dioxo)chromium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Cd+2]
InChIInChI=1S/Ca.Cd.Cr.H2O4S.4O/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);;;;/q2*+2;;;;;2*-1/p-2
InChIKeyJSZFGQRDTXHXHH-UHFFFAOYSA-L
MW364.55 g/mol
LogP-4.34
Rot. Bonds

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

calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate (PubChem CID 160906736) has the molecular formula CaCdCrO8S and a molecular weight of 364.55 g/mol. Its IUPAC name is calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate.

Molecular Properties

Compound Namecalcium;cadmium(2+);dioxido(dioxo)chromium;sulfate
PubChem CID160906736
Molecular FormulaCaCdCrO8S
Molecular Weight364.55 g/mol
Exact Mass365.74
IUPAC Namecalcium;cadmium(2+);dioxido(dioxo)chromium;sulfate
SMILESO=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Cd+2]
InChIInChI=1S/Ca.Cd.Cr.H2O4S.4O/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);;;;/q2*+2;;;;;2*-1/p-2
InChIKeyJSZFGQRDTXHXHH-UHFFFAOYSA-L
XLogP-4.34
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.55
LogP ≤ 5-4.34
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

dicalcium;copper;cadmium(2+);dioxido(dioxo)chromium;sulfate
CID 172702995
calcium;copper;dizinc;cadmium(2+);dioxido(dioxo)chromium;sulfate
CID 160835923
dicalcium;dicopper;dizinc;tris(dioxido(dioxo)chromium);trisulfate
CID 173097154
distrontium;dioxido(dioxo)chromium;sulfate
CID 159434043
dicalcium bis(dioxido(dioxo)chromium)
CID 159677677
molybdenum trisulfate
CID 23513550
dicalcium;sulfate
CID 23431966
calcium;dioxido(dioxo)chromium;sulfuric acid
CID 172718284
calcium;copper;dizinc;cadmium(2+);pentakis(dioxido(dioxo)chromium)
CID 159500133
cadmium(2+);sulfane;sulfate
CID 174596003
lithium;chromium(3+);bis(dioxido(dioxo)chromium)
CID 175043134
calcium;sulfate;heptahydrate
CID 140700884

Frequently Asked Questions

What is the IUPAC name of calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The IUPAC name of calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate (CID 160906736) is calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate.
What is the SMILES notation for calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The canonical SMILES for calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate is O=S(=O)([O-])[O-].O=[Cr](=O)([O-])[O-].[Ca+2].[Cd+2].
What is the InChIKey of calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate?
The InChIKey is JSZFGQRDTXHXHH-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.Cd.Cr.H2O4S.4O/c;;;1-5(2,3)4;;;;/h;;;(H2,1,2,3,4);;;;/q2*+2;;;;;2*-1/p-2.
What are the key properties of calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate?
calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate has a molecular weight of 364.55 g/mol, XLogP of -4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;cadmium(2+);dioxido(dioxo)chromium;sulfate is sourced from PubChem (CID 160906736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).