trisodium;hydrogen carbonate;acetate;hydroxide

C3H5Na3O6 — CID 169079975

IUPACtrisodium;hydrogen carbonate;acetate;hydroxide
SMILESCC(=O)[O-].O=C([O-])O.[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/C2H4O2.CH2O3.3Na.H2O/c1-2(3)4;2-1(3)4;;;;/h1H3,(H,3,4);(H2,2,3,4);;;;1H2/q;;3*+1;/p-3
InChIKeyDSYGXBSEGZNEHR-UHFFFAOYSA-K
MW206.04 g/mol
LogP-11.52
Rot. Bonds

About trisodium;hydrogen carbonate;acetate;hydroxide

trisodium;hydrogen carbonate;acetate;hydroxide (PubChem CID 169079975) has the molecular formula C3H5Na3O6 and a molecular weight of 206.04 g/mol. Its IUPAC name is trisodium;hydrogen carbonate;acetate;hydroxide.

Molecular Properties

Compound Nametrisodium;hydrogen carbonate;acetate;hydroxide
PubChem CID169079975
Molecular FormulaC3H5Na3O6
Molecular Weight206.04 g/mol
Exact Mass205.98
IUPAC Nametrisodium;hydrogen carbonate;acetate;hydroxide
SMILESCC(=O)[O-].O=C([O-])O.[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/C2H4O2.CH2O3.3Na.H2O/c1-2(3)4;2-1(3)4;;;;/h1H3,(H,3,4);(H2,2,3,4);;;;1H2/q;;3*+1;/p-3
InChIKeyDSYGXBSEGZNEHR-UHFFFAOYSA-K
XLogP-11.52
TPSA130.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 5-11.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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calcium;hydrogen carbonate;acetate
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tetrasodium;acetic acid;tetraacetate
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CID 173223990
acetic acid;nickel(2+);diacetate
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nonasodium;nonaacetate
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sodium;zinc;acetate;hydroxide;dihydrate
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disodium;acetic acid;diacetate;dihydrate
CID 157440241
tetrasodium;tetraacetate;hydrate
CID 141360802
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892

Frequently Asked Questions

What is the IUPAC name of trisodium;hydrogen carbonate;acetate;hydroxide?
The IUPAC name of trisodium;hydrogen carbonate;acetate;hydroxide (CID 169079975) is trisodium;hydrogen carbonate;acetate;hydroxide.
What is the SMILES notation for trisodium;hydrogen carbonate;acetate;hydroxide?
The canonical SMILES for trisodium;hydrogen carbonate;acetate;hydroxide is CC(=O)[O-].O=C([O-])O.[Na+].[Na+].[Na+].[OH-].
What is the InChIKey of trisodium;hydrogen carbonate;acetate;hydroxide?
The InChIKey is DSYGXBSEGZNEHR-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H4O2.CH2O3.3Na.H2O/c1-2(3)4;2-1(3)4;;;;/h1H3,(H,3,4);(H2,2,3,4);;;;1H2/q;;3*+1;/p-3.
What are the key properties of trisodium;hydrogen carbonate;acetate;hydroxide?
trisodium;hydrogen carbonate;acetate;hydroxide has a molecular weight of 206.04 g/mol, XLogP of -11.52, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydrogen carbonate;acetate;hydroxide is sourced from PubChem (CID 169079975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).