dicalcium;oxygen(2-);sulfuric acid

H2Ca2O5S+2 — CID 173454579

IUPACdicalcium;oxygen(2-);sulfuric acid
SMILESO=S(=O)(O)O.[Ca+2].[Ca+2].[O-2]
InChIInChI=1S/2Ca.H2O4S.O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q2*+2;;-2
InChIKeyCGBRHEMTHVMXEI-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.53
Rot. Bonds

About dicalcium;oxygen(2-);sulfuric acid

dicalcium;oxygen(2-);sulfuric acid (PubChem CID 173454579) has the molecular formula H2Ca2O5S+2 and a molecular weight of 194.23 g/mol. Its IUPAC name is dicalcium;oxygen(2-);sulfuric acid.

Molecular Properties

Compound Namedicalcium;oxygen(2-);sulfuric acid
PubChem CID173454579
Molecular FormulaH2Ca2O5S+2
Molecular Weight194.23 g/mol
Exact Mass193.89
IUPAC Namedicalcium;oxygen(2-);sulfuric acid
SMILESO=S(=O)(O)O.[Ca+2].[Ca+2].[O-2]
InChIInChI=1S/2Ca.H2O4S.O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q2*+2;;-2
InChIKeyCGBRHEMTHVMXEI-UHFFFAOYSA-N
XLogP-1.53
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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sulfuric acid;ytterbium
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Frequently Asked Questions

What is the IUPAC name of dicalcium;oxygen(2-);sulfuric acid?
The IUPAC name of dicalcium;oxygen(2-);sulfuric acid (CID 173454579) is dicalcium;oxygen(2-);sulfuric acid.
What is the SMILES notation for dicalcium;oxygen(2-);sulfuric acid?
The canonical SMILES for dicalcium;oxygen(2-);sulfuric acid is O=S(=O)(O)O.[Ca+2].[Ca+2].[O-2].
What is the InChIKey of dicalcium;oxygen(2-);sulfuric acid?
The InChIKey is CGBRHEMTHVMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.H2O4S.O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);/q2*+2;;-2.
What are the key properties of dicalcium;oxygen(2-);sulfuric acid?
dicalcium;oxygen(2-);sulfuric acid has a molecular weight of 194.23 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;oxygen(2-);sulfuric acid is sourced from PubChem (CID 173454579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).