potassium;sodium;acetic acid;azane;diacetate

C6H13KNNaO6 — CID 174405846

IUPACpotassium;sodium;acetic acid;azane;diacetate
SMILESCC(=O)O.CC(=O)[O-].CC(=O)[O-].N.[K+].[Na+]
InChIInChI=1S/3C2H4O2.K.H3N.Na/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;1H3;/q;;;+1;;+1/p-2
InChIKeyBWDJUSQUJFHCQJ-UHFFFAOYSA-L
MW257.26 g/mol
LogP-8.23
Rot. Bonds

About potassium;sodium;acetic acid;azane;diacetate

potassium;sodium;acetic acid;azane;diacetate (PubChem CID 174405846) has the molecular formula C6H13KNNaO6 and a molecular weight of 257.26 g/mol. Its IUPAC name is potassium;sodium;acetic acid;azane;diacetate.

Molecular Properties

Compound Namepotassium;sodium;acetic acid;azane;diacetate
PubChem CID174405846
Molecular FormulaC6H13KNNaO6
Molecular Weight257.26 g/mol
Exact Mass257.03
IUPAC Namepotassium;sodium;acetic acid;azane;diacetate
SMILESCC(=O)O.CC(=O)[O-].CC(=O)[O-].N.[K+].[Na+]
InChIInChI=1S/3C2H4O2.K.H3N.Na/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;1H3;/q;;;+1;;+1/p-2
InChIKeyBWDJUSQUJFHCQJ-UHFFFAOYSA-L
XLogP-8.23
TPSA152.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-8.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dipotassium;acetic acid;diacetate
CID 158588749
disodium;acetic acid;diacetate
CID 173429672
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
potassium;acetic acid;phosphane;acetate
CID 172706632
disodium;acetic acid;diacetate;dihydrate
CID 157440241
potassium;sodium;diacetate
CID 21470705
sodium;azane;acetate;hydrate
CID 173286300
cesium;acetic acid;acetate
CID 175712747
acetic acid;iron(3+);triacetate
CID 175778067
acetic acid;yttrium(3+);triacetate
CID 175880904
acetic acid;nickel(2+);diacetate
CID 159615318

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;acetic acid;azane;diacetate?
The IUPAC name of potassium;sodium;acetic acid;azane;diacetate (CID 174405846) is potassium;sodium;acetic acid;azane;diacetate.
What is the SMILES notation for potassium;sodium;acetic acid;azane;diacetate?
The canonical SMILES for potassium;sodium;acetic acid;azane;diacetate is CC(=O)O.CC(=O)[O-].CC(=O)[O-].N.[K+].[Na+].
What is the InChIKey of potassium;sodium;acetic acid;azane;diacetate?
The InChIKey is BWDJUSQUJFHCQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C2H4O2.K.H3N.Na/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;1H3;/q;;;+1;;+1/p-2.
What are the key properties of potassium;sodium;acetic acid;azane;diacetate?
potassium;sodium;acetic acid;azane;diacetate has a molecular weight of 257.26 g/mol, XLogP of -8.23, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;acetic acid;azane;diacetate is sourced from PubChem (CID 174405846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).