calcium;lithium;sodium;dicarbonate

C2CaLiNaO6 — CID 140564969

IUPACcalcium;lithium;sodium;dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].[Ca+2].[Li+].[Na+]
InChIInChI=1S/2CH2O3.Ca.Li.Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;+2;2*+1/p-4
InChIKeyPJDBNXBGLPONPX-UHFFFAOYSA-J
MW190.02 g/mol
LogP-11.27
Rot. Bonds

About calcium;lithium;sodium;dicarbonate

calcium;lithium;sodium;dicarbonate (PubChem CID 140564969) has the molecular formula C2CaLiNaO6 and a molecular weight of 190.02 g/mol. Its IUPAC name is calcium;lithium;sodium;dicarbonate.

Molecular Properties

Compound Namecalcium;lithium;sodium;dicarbonate
PubChem CID140564969
Molecular FormulaC2CaLiNaO6
Molecular Weight190.02 g/mol
Exact Mass189.94
IUPAC Namecalcium;lithium;sodium;dicarbonate
SMILESO=C([O-])[O-].O=C([O-])[O-].[Ca+2].[Li+].[Na+]
InChIInChI=1S/2CH2O3.Ca.Li.Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;+2;2*+1/p-4
InChIKeyPJDBNXBGLPONPX-UHFFFAOYSA-J
XLogP-11.27
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 5-11.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of calcium;lithium;sodium;dicarbonate?
The IUPAC name of calcium;lithium;sodium;dicarbonate (CID 140564969) is calcium;lithium;sodium;dicarbonate.
What is the SMILES notation for calcium;lithium;sodium;dicarbonate?
The canonical SMILES for calcium;lithium;sodium;dicarbonate is O=C([O-])[O-].O=C([O-])[O-].[Ca+2].[Li+].[Na+].
What is the InChIKey of calcium;lithium;sodium;dicarbonate?
The InChIKey is PJDBNXBGLPONPX-UHFFFAOYSA-J. The full InChI is InChI=1S/2CH2O3.Ca.Li.Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;+2;2*+1/p-4.
What are the key properties of calcium;lithium;sodium;dicarbonate?
calcium;lithium;sodium;dicarbonate has a molecular weight of 190.02 g/mol, XLogP of -11.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lithium;sodium;dicarbonate is sourced from PubChem (CID 140564969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).