trisodium;hydrogen carbonate;carbonate;dihydrate

C2H5Na3O8 — CID 91886149

IUPACtrisodium;hydrogen carbonate;carbonate;dihydrate
SMILESO.O.O=C([O-])O.O=C([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/2CH2O3.3Na.2H2O/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;;2*1H2/q;;3*+1;;/p-3
InChIKeyYVDUOWXDYAOZMD-UHFFFAOYSA-K
MW226.02 g/mol
LogP-14.20
Rot. Bonds

About trisodium;hydrogen carbonate;carbonate;dihydrate

trisodium;hydrogen carbonate;carbonate;dihydrate (PubChem CID 91886149) has the molecular formula C2H5Na3O8 and a molecular weight of 226.02 g/mol. Its IUPAC name is trisodium;hydrogen carbonate;carbonate;dihydrate.

Molecular Properties

Compound Nametrisodium;hydrogen carbonate;carbonate;dihydrate
PubChem CID91886149
Molecular FormulaC2H5Na3O8
Molecular Weight226.02 g/mol
Exact Mass225.97
IUPAC Nametrisodium;hydrogen carbonate;carbonate;dihydrate
SMILESO.O.O=C([O-])O.O=C([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/2CH2O3.3Na.2H2O/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;;2*1H2/q;;3*+1;;/p-3
InChIKeyYVDUOWXDYAOZMD-UHFFFAOYSA-K
XLogP-14.20
TPSA186.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 5-14.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trisodium;hydrogen carbonate;carbonate;dihydrate?
The IUPAC name of trisodium;hydrogen carbonate;carbonate;dihydrate (CID 91886149) is trisodium;hydrogen carbonate;carbonate;dihydrate.
What is the SMILES notation for trisodium;hydrogen carbonate;carbonate;dihydrate?
The canonical SMILES for trisodium;hydrogen carbonate;carbonate;dihydrate is O.O.O=C([O-])O.O=C([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydrogen carbonate;carbonate;dihydrate?
The InChIKey is YVDUOWXDYAOZMD-UHFFFAOYSA-K. The full InChI is InChI=1S/2CH2O3.3Na.2H2O/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;;2*1H2/q;;3*+1;;/p-3.
What are the key properties of trisodium;hydrogen carbonate;carbonate;dihydrate?
trisodium;hydrogen carbonate;carbonate;dihydrate has a molecular weight of 226.02 g/mol, XLogP of -14.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydrogen carbonate;carbonate;dihydrate is sourced from PubChem (CID 91886149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).