trisodium;carbonic acid;hydrogen carbonate;carbonate

C3H3Na3O9 — CID 173334422

IUPACtrisodium;carbonic acid;hydrogen carbonate;carbonate
SMILESO=C(O)O.O=C([O-])O.O=C([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3CH2O3.3Na/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;/q;;;3*+1/p-3
InChIKeyPFMBRNMAXCVTIV-UHFFFAOYSA-K
MW252.02 g/mol
LogP-12.32
Rot. Bonds

About trisodium;carbonic acid;hydrogen carbonate;carbonate

trisodium;carbonic acid;hydrogen carbonate;carbonate (PubChem CID 173334422) has the molecular formula C3H3Na3O9 and a molecular weight of 252.02 g/mol. Its IUPAC name is trisodium;carbonic acid;hydrogen carbonate;carbonate.

Molecular Properties

Compound Nametrisodium;carbonic acid;hydrogen carbonate;carbonate
PubChem CID173334422
Molecular FormulaC3H3Na3O9
Molecular Weight252.02 g/mol
Exact Mass251.95
IUPAC Nametrisodium;carbonic acid;hydrogen carbonate;carbonate
SMILESO=C(O)O.O=C([O-])O.O=C([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/3CH2O3.3Na/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;/q;;;3*+1/p-3
InChIKeyPFMBRNMAXCVTIV-UHFFFAOYSA-K
XLogP-12.32
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 5-12.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trisodium;carbonic acid;hydrogen carbonate;carbonate?
The IUPAC name of trisodium;carbonic acid;hydrogen carbonate;carbonate (CID 173334422) is trisodium;carbonic acid;hydrogen carbonate;carbonate.
What is the SMILES notation for trisodium;carbonic acid;hydrogen carbonate;carbonate?
The canonical SMILES for trisodium;carbonic acid;hydrogen carbonate;carbonate is O=C(O)O.O=C([O-])O.O=C([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;carbonic acid;hydrogen carbonate;carbonate?
The InChIKey is PFMBRNMAXCVTIV-UHFFFAOYSA-K. The full InChI is InChI=1S/3CH2O3.3Na/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;/q;;;3*+1/p-3.
What are the key properties of trisodium;carbonic acid;hydrogen carbonate;carbonate?
trisodium;carbonic acid;hydrogen carbonate;carbonate has a molecular weight of 252.02 g/mol, XLogP of -12.32, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;carbonic acid;hydrogen carbonate;carbonate is sourced from PubChem (CID 173334422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).