tetrasodium;acetic acid;tetraacetate

C12H20Na4O12 — CID 175423347

IUPACtetrasodium;acetic acid;tetraacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/6C2H4O2.4Na/c6*1-2(3)4;;;;/h6*1H3,(H,3,4);;;;/q;;;;;;4*+1/p-4
InChIKeyDAPLBXOJIGENFG-UHFFFAOYSA-J
MW448.24 g/mol
LogP-16.78
Rot. Bonds

About tetrasodium;acetic acid;tetraacetate

tetrasodium;acetic acid;tetraacetate (PubChem CID 175423347) has the molecular formula C12H20Na4O12 and a molecular weight of 448.24 g/mol. Its IUPAC name is tetrasodium;acetic acid;tetraacetate.

Molecular Properties

Compound Nametetrasodium;acetic acid;tetraacetate
PubChem CID175423347
Molecular FormulaC12H20Na4O12
Molecular Weight448.24 g/mol
Exact Mass448.05
IUPAC Nametetrasodium;acetic acid;tetraacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/6C2H4O2.4Na/c6*1-2(3)4;;;;/h6*1H3,(H,3,4);;;;/q;;;;;;4*+1/p-4
InChIKeyDAPLBXOJIGENFG-UHFFFAOYSA-J
XLogP-16.78
TPSA235.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.24
LogP ≤ 5-16.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

disodium;acetic acid;diacetate
CID 173429672
sodium;acetic acid;acetate
CID 173223990
disodium;acetic acid;diacetate;dihydrate
CID 157440241
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
acetic acid;nickel(2+);diacetate
CID 159615318
acetic acid;iron(3+);triacetate
CID 175778067
acetic acid;yttrium(3+);triacetate
CID 175880904
cesium;acetic acid;acetate
CID 175712747
dipotassium;acetic acid;diacetate
CID 158588749
nonasodium;nonaacetate
CID 173443222
potassium;acetic acid;phosphane;acetate
CID 172706632
trisodium;hydrogen carbonate;acetate;hydroxide
CID 169079975

Frequently Asked Questions

What is the IUPAC name of tetrasodium;acetic acid;tetraacetate?
The IUPAC name of tetrasodium;acetic acid;tetraacetate (CID 175423347) is tetrasodium;acetic acid;tetraacetate.
What is the SMILES notation for tetrasodium;acetic acid;tetraacetate?
The canonical SMILES for tetrasodium;acetic acid;tetraacetate is CC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;acetic acid;tetraacetate?
The InChIKey is DAPLBXOJIGENFG-UHFFFAOYSA-J. The full InChI is InChI=1S/6C2H4O2.4Na/c6*1-2(3)4;;;;/h6*1H3,(H,3,4);;;;/q;;;;;;4*+1/p-4.
What are the key properties of tetrasodium;acetic acid;tetraacetate?
tetrasodium;acetic acid;tetraacetate has a molecular weight of 448.24 g/mol, XLogP of -16.78, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;acetic acid;tetraacetate is sourced from PubChem (CID 175423347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).