sodium;hydron;triacetate

C6H11NaO6 — CID 173121634

IUPACsodium;hydron;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[H+].[H+].[Na+]
InChIInChI=1S/3C2H4O2.Na/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+1/p-1
InChIKeyJAIXVZXCGDGGNB-UHFFFAOYSA-M
MW202.14 g/mol
LogP-6.50
Rot. Bonds

About sodium;hydron;triacetate

sodium;hydron;triacetate (PubChem CID 173121634) has the molecular formula C6H11NaO6 and a molecular weight of 202.14 g/mol. Its IUPAC name is sodium;hydron;triacetate.

Molecular Properties

Compound Namesodium;hydron;triacetate
PubChem CID173121634
Molecular FormulaC6H11NaO6
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Namesodium;hydron;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[H+].[H+].[Na+]
InChIInChI=1S/3C2H4O2.Na/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+1/p-1
InChIKeyJAIXVZXCGDGGNB-UHFFFAOYSA-M
XLogP-6.50
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-6.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

nonasodium;nonaacetate
CID 173443222
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
potassium;sodium;diacetate
CID 21470705
trisodium;acetate;carbonate
CID 169079974
sodium;alumane;acetate
CID 173418045
disodium;sulfanide;acetate
CID 173135140
tetrasodium;tetraacetate;hydrate
CID 141360802
pentasodium;ethene;pentaacetate
CID 172708449
disodium;acetic acid;diacetate
CID 173429672
disodium;acetate;chloride;trihydrate
CID 160847584
tetrasodium;acetic acid;tetraacetate
CID 175423347

Frequently Asked Questions

What is the IUPAC name of sodium;hydron;triacetate?
The IUPAC name of sodium;hydron;triacetate (CID 173121634) is sodium;hydron;triacetate.
What is the SMILES notation for sodium;hydron;triacetate?
The canonical SMILES for sodium;hydron;triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[H+].[H+].[Na+].
What is the InChIKey of sodium;hydron;triacetate?
The InChIKey is JAIXVZXCGDGGNB-UHFFFAOYSA-M. The full InChI is InChI=1S/3C2H4O2.Na/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+1/p-1.
What are the key properties of sodium;hydron;triacetate?
sodium;hydron;triacetate has a molecular weight of 202.14 g/mol, XLogP of -6.50, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydron;triacetate is sourced from PubChem (CID 173121634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).