calcium;disodium;hydrogen carbonate;carbonate;chloride

C2HCaClNa2O6 — CID 159024074

IUPACcalcium;disodium;hydrogen carbonate;carbonate;chloride
SMILESO=C([O-])O.O=C([O-])[O-].[Ca+2].[Cl-].[Na+].[Na+]
InChIInChI=1S/2CH2O3.Ca.ClH.2Na/c2*2-1(3)4;;;;/h2*(H2,2,3,4);;1H;;/q;;+2;;2*+1/p-4
InChIKeyJUBNPLJHWDQAME-UHFFFAOYSA-J
MW242.53 g/mol
LogP-12.93
Rot. Bonds

About calcium;disodium;hydrogen carbonate;carbonate;chloride

calcium;disodium;hydrogen carbonate;carbonate;chloride (PubChem CID 159024074) has the molecular formula C2HCaClNa2O6 and a molecular weight of 242.53 g/mol. Its IUPAC name is calcium;disodium;hydrogen carbonate;carbonate;chloride.

Molecular Properties

Compound Namecalcium;disodium;hydrogen carbonate;carbonate;chloride
PubChem CID159024074
Molecular FormulaC2HCaClNa2O6
Molecular Weight242.53 g/mol
Exact Mass241.89
IUPAC Namecalcium;disodium;hydrogen carbonate;carbonate;chloride
SMILESO=C([O-])O.O=C([O-])[O-].[Ca+2].[Cl-].[Na+].[Na+]
InChIInChI=1S/2CH2O3.Ca.ClH.2Na/c2*2-1(3)4;;;;/h2*(H2,2,3,4);;1H;;/q;;+2;;2*+1/p-4
InChIKeyJUBNPLJHWDQAME-UHFFFAOYSA-J
XLogP-12.93
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 5-12.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of calcium;disodium;hydrogen carbonate;carbonate;chloride?
The IUPAC name of calcium;disodium;hydrogen carbonate;carbonate;chloride (CID 159024074) is calcium;disodium;hydrogen carbonate;carbonate;chloride.
What is the SMILES notation for calcium;disodium;hydrogen carbonate;carbonate;chloride?
The canonical SMILES for calcium;disodium;hydrogen carbonate;carbonate;chloride is O=C([O-])O.O=C([O-])[O-].[Ca+2].[Cl-].[Na+].[Na+].
What is the InChIKey of calcium;disodium;hydrogen carbonate;carbonate;chloride?
The InChIKey is JUBNPLJHWDQAME-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O3.Ca.ClH.2Na/c2*2-1(3)4;;;;/h2*(H2,2,3,4);;1H;;/q;;+2;;2*+1/p-4.
What are the key properties of calcium;disodium;hydrogen carbonate;carbonate;chloride?
calcium;disodium;hydrogen carbonate;carbonate;chloride has a molecular weight of 242.53 g/mol, XLogP of -12.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;disodium;hydrogen carbonate;carbonate;chloride is sourced from PubChem (CID 159024074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).