calcium;azane;hydrogen carbonate;hydrochloride

C2H6CaClNO6 — CID 173114156

IUPACcalcium;azane;hydrogen carbonate;hydrochloride
SMILESCl.N.O=C([O-])O.O=C([O-])O.[Ca+2]
InChIInChI=1S/2CH2O3.Ca.ClH.H3N/c2*2-1(3)4;;;/h2*(H2,2,3,4);;1H;1H3/q;;+2;;/p-2
InChIKeySMIQAGZBOALDIU-UHFFFAOYSA-L
MW215.60 g/mol
LogP-2.02
Rot. Bonds

About calcium;azane;hydrogen carbonate;hydrochloride

calcium;azane;hydrogen carbonate;hydrochloride (PubChem CID 173114156) has the molecular formula C2H6CaClNO6 and a molecular weight of 215.60 g/mol. Its IUPAC name is calcium;azane;hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Namecalcium;azane;hydrogen carbonate;hydrochloride
PubChem CID173114156
Molecular FormulaC2H6CaClNO6
Molecular Weight215.60 g/mol
Exact Mass214.95
IUPAC Namecalcium;azane;hydrogen carbonate;hydrochloride
SMILESCl.N.O=C([O-])O.O=C([O-])O.[Ca+2]
InChIInChI=1S/2CH2O3.Ca.ClH.H3N/c2*2-1(3)4;;;/h2*(H2,2,3,4);;1H;1H3/q;;+2;;/p-2
InChIKeySMIQAGZBOALDIU-UHFFFAOYSA-L
XLogP-2.02
TPSA155.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of calcium;azane;hydrogen carbonate;hydrochloride?
The IUPAC name of calcium;azane;hydrogen carbonate;hydrochloride (CID 173114156) is calcium;azane;hydrogen carbonate;hydrochloride.
What is the SMILES notation for calcium;azane;hydrogen carbonate;hydrochloride?
The canonical SMILES for calcium;azane;hydrogen carbonate;hydrochloride is Cl.N.O=C([O-])O.O=C([O-])O.[Ca+2].
What is the InChIKey of calcium;azane;hydrogen carbonate;hydrochloride?
The InChIKey is SMIQAGZBOALDIU-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O3.Ca.ClH.H3N/c2*2-1(3)4;;;/h2*(H2,2,3,4);;1H;1H3/q;;+2;;/p-2.
What are the key properties of calcium;azane;hydrogen carbonate;hydrochloride?
calcium;azane;hydrogen carbonate;hydrochloride has a molecular weight of 215.60 g/mol, XLogP of -2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azane;hydrogen carbonate;hydrochloride is sourced from PubChem (CID 173114156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).