calcium;strontium;carbonate;sulfate

CCaO7SSr — CID 141433179

IUPACcalcium;strontium;carbonate;sulfate
SMILESO=C([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Sr+2]
InChIInChI=1S/CH2O3.Ca.H2O4S.Sr/c2-1(3)4;;1-5(2,3)4;/h(H2,2,3,4);;(H2,1,2,3,4);/q;+2;;+2/p-4
InChIKeyFTNOFNIESZSONM-UHFFFAOYSA-J
MW283.77 g/mol
LogP-4.55
Rot. Bonds

About calcium;strontium;carbonate;sulfate

calcium;strontium;carbonate;sulfate (PubChem CID 141433179) has the molecular formula CCaO7SSr and a molecular weight of 283.77 g/mol. Its IUPAC name is calcium;strontium;carbonate;sulfate.

Molecular Properties

Compound Namecalcium;strontium;carbonate;sulfate
PubChem CID141433179
Molecular FormulaCCaO7SSr
Molecular Weight283.77 g/mol
Exact Mass283.80
IUPAC Namecalcium;strontium;carbonate;sulfate
SMILESO=C([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Sr+2]
InChIInChI=1S/CH2O3.Ca.H2O4S.Sr/c2-1(3)4;;1-5(2,3)4;/h(H2,2,3,4);;(H2,1,2,3,4);/q;+2;;+2/p-4
InChIKeyFTNOFNIESZSONM-UHFFFAOYSA-J
XLogP-4.55
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 5-4.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of calcium;strontium;carbonate;sulfate?
The IUPAC name of calcium;strontium;carbonate;sulfate (CID 141433179) is calcium;strontium;carbonate;sulfate.
What is the SMILES notation for calcium;strontium;carbonate;sulfate?
The canonical SMILES for calcium;strontium;carbonate;sulfate is O=C([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Sr+2].
What is the InChIKey of calcium;strontium;carbonate;sulfate?
The InChIKey is FTNOFNIESZSONM-UHFFFAOYSA-J. The full InChI is InChI=1S/CH2O3.Ca.H2O4S.Sr/c2-1(3)4;;1-5(2,3)4;/h(H2,2,3,4);;(H2,1,2,3,4);/q;+2;;+2/p-4.
What are the key properties of calcium;strontium;carbonate;sulfate?
calcium;strontium;carbonate;sulfate has a molecular weight of 283.77 g/mol, XLogP of -4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;strontium;carbonate;sulfate is sourced from PubChem (CID 141433179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).