copper;sodium;hydrogen carbonate

C3H3CuNaO9 — CID 158630048

IUPACcopper;sodium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.[Cu+2].[Na+]
InChIInChI=1S/3CH2O3.Cu.Na/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;+2;+1/p-3
InChIKeyHZBQVENUZMMASK-UHFFFAOYSA-K
MW269.58 g/mol
LogP-6.34
Rot. Bonds

About copper;sodium;hydrogen carbonate

copper;sodium;hydrogen carbonate (PubChem CID 158630048) has the molecular formula C3H3CuNaO9 and a molecular weight of 269.58 g/mol. Its IUPAC name is copper;sodium;hydrogen carbonate.

Molecular Properties

Compound Namecopper;sodium;hydrogen carbonate
PubChem CID158630048
Molecular FormulaC3H3CuNaO9
Molecular Weight269.58 g/mol
Exact Mass268.90
IUPAC Namecopper;sodium;hydrogen carbonate
SMILESO=C([O-])O.O=C([O-])O.O=C([O-])O.[Cu+2].[Na+]
InChIInChI=1S/3CH2O3.Cu.Na/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;+2;+1/p-3
InChIKeyHZBQVENUZMMASK-UHFFFAOYSA-K
XLogP-6.34
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.58
LogP ≤ 5-6.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper;sodium;hydrogen carbonate?
The IUPAC name of copper;sodium;hydrogen carbonate (CID 158630048) is copper;sodium;hydrogen carbonate.
What is the SMILES notation for copper;sodium;hydrogen carbonate?
The canonical SMILES for copper;sodium;hydrogen carbonate is O=C([O-])O.O=C([O-])O.O=C([O-])O.[Cu+2].[Na+].
What is the InChIKey of copper;sodium;hydrogen carbonate?
The InChIKey is HZBQVENUZMMASK-UHFFFAOYSA-K. The full InChI is InChI=1S/3CH2O3.Cu.Na/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;+2;+1/p-3.
What are the key properties of copper;sodium;hydrogen carbonate?
copper;sodium;hydrogen carbonate has a molecular weight of 269.58 g/mol, XLogP of -6.34, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;sodium;hydrogen carbonate is sourced from PubChem (CID 158630048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).