calcium;sodium;strontium;hydrogen carbonate

C5H5CaNaO15Sr — CID 174700923

IUPACcalcium;sodium;strontium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[Ca+2].[Na+].[Sr+2]
InChIInChI=1S/5CH2O3.Ca.Na.Sr/c5*2-1(3)4;;;/h5*(H2,2,3,4);;;/q;;;;;+2;+1;+2/p-5
InChIKeyFGTWVKKOHLRHRD-UHFFFAOYSA-I
MW455.77 g/mol
LogP-9.32
Rot. Bonds

About calcium;sodium;strontium;hydrogen carbonate

calcium;sodium;strontium;hydrogen carbonate (PubChem CID 174700923) has the molecular formula C5H5CaNaO15Sr and a molecular weight of 455.77 g/mol. Its IUPAC name is calcium;sodium;strontium;hydrogen carbonate.

Molecular Properties

Compound Namecalcium;sodium;strontium;hydrogen carbonate
PubChem CID174700923
Molecular FormulaC5H5CaNaO15Sr
Molecular Weight455.77 g/mol
Exact Mass455.82
IUPAC Namecalcium;sodium;strontium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[Ca+2].[Na+].[Sr+2]
InChIInChI=1S/5CH2O3.Ca.Na.Sr/c5*2-1(3)4;;;/h5*(H2,2,3,4);;;/q;;;;;+2;+1;+2/p-5
InChIKeyFGTWVKKOHLRHRD-UHFFFAOYSA-I
XLogP-9.32
TPSA301.80 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.77
LogP ≤ 5-9.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;strontium;hydrogen carbonate?
The IUPAC name of calcium;sodium;strontium;hydrogen carbonate (CID 174700923) is calcium;sodium;strontium;hydrogen carbonate.
What is the SMILES notation for calcium;sodium;strontium;hydrogen carbonate?
The canonical SMILES for calcium;sodium;strontium;hydrogen carbonate is O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[Ca+2].[Na+].[Sr+2].
What is the InChIKey of calcium;sodium;strontium;hydrogen carbonate?
The InChIKey is FGTWVKKOHLRHRD-UHFFFAOYSA-I. The full InChI is InChI=1S/5CH2O3.Ca.Na.Sr/c5*2-1(3)4;;;/h5*(H2,2,3,4);;;/q;;;;;+2;+1;+2/p-5.
What are the key properties of calcium;sodium;strontium;hydrogen carbonate?
calcium;sodium;strontium;hydrogen carbonate has a molecular weight of 455.77 g/mol, XLogP of -9.32, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;strontium;hydrogen carbonate is sourced from PubChem (CID 174700923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).