disodium;acetic acid;diacetate;dihydrate

C8H18Na2O10 — CID 157440241

IUPACdisodium;acetic acid;diacetate;dihydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].O.O.[Na+].[Na+]
InChIInChI=1S/4C2H4O2.2Na.2H2O/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;2*1H2/q;;;;2*+1;;/p-2
InChIKeyBROZVYJAZHSUDV-UHFFFAOYSA-L
MW320.20 g/mol
LogP-9.95
Rot. Bonds

About disodium;acetic acid;diacetate;dihydrate

disodium;acetic acid;diacetate;dihydrate (PubChem CID 157440241) has the molecular formula C8H18Na2O10 and a molecular weight of 320.20 g/mol. Its IUPAC name is disodium;acetic acid;diacetate;dihydrate.

Molecular Properties

Compound Namedisodium;acetic acid;diacetate;dihydrate
PubChem CID157440241
Molecular FormulaC8H18Na2O10
Molecular Weight320.20 g/mol
Exact Mass320.07
IUPAC Namedisodium;acetic acid;diacetate;dihydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].O.O.[Na+].[Na+]
InChIInChI=1S/4C2H4O2.2Na.2H2O/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;2*1H2/q;;;;2*+1;;/p-2
InChIKeyBROZVYJAZHSUDV-UHFFFAOYSA-L
XLogP-9.95
TPSA217.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 5-9.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

disodium;acetic acid;diacetate
CID 173429672
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
sodium;acetate;trihydrate
CID 23665404
tetrasodium;tetraacetate;hydrate
CID 141360802
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
sodium;azane;acetate;hydrate
CID 173286300
cesium;acetic acid;acetate
CID 175712747
dipotassium;acetic acid;diacetate
CID 158588749
acetic acid;iron(3+);triacetate
CID 175778067
disodium;acetate;chloride;trihydrate
CID 160847584
acetic acid;yttrium(3+);triacetate
CID 175880904

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;diacetate;dihydrate?
The IUPAC name of disodium;acetic acid;diacetate;dihydrate (CID 157440241) is disodium;acetic acid;diacetate;dihydrate.
What is the SMILES notation for disodium;acetic acid;diacetate;dihydrate?
The canonical SMILES for disodium;acetic acid;diacetate;dihydrate is CC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].O.O.[Na+].[Na+].
What is the InChIKey of disodium;acetic acid;diacetate;dihydrate?
The InChIKey is BROZVYJAZHSUDV-UHFFFAOYSA-L. The full InChI is InChI=1S/4C2H4O2.2Na.2H2O/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;2*1H2/q;;;;2*+1;;/p-2.
What are the key properties of disodium;acetic acid;diacetate;dihydrate?
disodium;acetic acid;diacetate;dihydrate has a molecular weight of 320.20 g/mol, XLogP of -9.95, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetic acid;diacetate;dihydrate is sourced from PubChem (CID 157440241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).