calcium;nickel(2+);dihydroxide;sulfate

H2CaNiO6S — CID 174314287

IUPACcalcium;nickel(2+);dihydroxide;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Ni+2].[OH-].[OH-]
InChIInChI=1S/Ca.Ni.H2O4S.2H2O/c;;1-5(2,3)4;;/h;;(H2,1,2,3,4);2*1H2/q2*+2;;;/p-4
InChIKeyMLMBTAVINMOLSP-UHFFFAOYSA-J
MW228.85 g/mol
LogP-2.07
Rot. Bonds

About calcium;nickel(2+);dihydroxide;sulfate

calcium;nickel(2+);dihydroxide;sulfate (PubChem CID 174314287) has the molecular formula H2CaNiO6S and a molecular weight of 228.85 g/mol. Its IUPAC name is calcium;nickel(2+);dihydroxide;sulfate.

Molecular Properties

Compound Namecalcium;nickel(2+);dihydroxide;sulfate
PubChem CID174314287
Molecular FormulaH2CaNiO6S
Molecular Weight228.85 g/mol
Exact Mass227.86
IUPAC Namecalcium;nickel(2+);dihydroxide;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Ni+2].[OH-].[OH-]
InChIInChI=1S/Ca.Ni.H2O4S.2H2O/c;;1-5(2,3)4;;/h;;(H2,1,2,3,4);2*1H2/q2*+2;;;/p-4
InChIKeyMLMBTAVINMOLSP-UHFFFAOYSA-J
XLogP-2.07
TPSA140.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.85
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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calcium;copper;sulfate
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calcium;sulfate;heptahydrate
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nickel(2+);chloride;sulfate
CID 19745759
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iron;nickel(2+);sulfate
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calcium;vanadium;sulfate
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Frequently Asked Questions

What is the IUPAC name of calcium;nickel(2+);dihydroxide;sulfate?
The IUPAC name of calcium;nickel(2+);dihydroxide;sulfate (CID 174314287) is calcium;nickel(2+);dihydroxide;sulfate.
What is the SMILES notation for calcium;nickel(2+);dihydroxide;sulfate?
The canonical SMILES for calcium;nickel(2+);dihydroxide;sulfate is O=S(=O)([O-])[O-].[Ca+2].[Ni+2].[OH-].[OH-].
What is the InChIKey of calcium;nickel(2+);dihydroxide;sulfate?
The InChIKey is MLMBTAVINMOLSP-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.Ni.H2O4S.2H2O/c;;1-5(2,3)4;;/h;;(H2,1,2,3,4);2*1H2/q2*+2;;;/p-4.
What are the key properties of calcium;nickel(2+);dihydroxide;sulfate?
calcium;nickel(2+);dihydroxide;sulfate has a molecular weight of 228.85 g/mol, XLogP of -2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;nickel(2+);dihydroxide;sulfate is sourced from PubChem (CID 174314287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).