tetrasodium;tetraacetate;hydrate

C8H14Na4O9 — CID 141360802

IUPACtetrasodium;tetraacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C2H4O2.4Na.H2O/c4*1-2(3)4;;;;;/h4*1H3,(H,3,4);;;;;1H2/q;;;;4*+1;/p-4
InChIKeyYPZDTWUAXXLAJE-UHFFFAOYSA-J
MW346.15 g/mol
LogP-17.78
Rot. Bonds

About tetrasodium;tetraacetate;hydrate

tetrasodium;tetraacetate;hydrate (PubChem CID 141360802) has the molecular formula C8H14Na4O9 and a molecular weight of 346.15 g/mol. Its IUPAC name is tetrasodium;tetraacetate;hydrate.

Molecular Properties

Compound Nametetrasodium;tetraacetate;hydrate
PubChem CID141360802
Molecular FormulaC8H14Na4O9
Molecular Weight346.15 g/mol
Exact Mass346.02
IUPAC Nametetrasodium;tetraacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C2H4O2.4Na.H2O/c4*1-2(3)4;;;;;/h4*1H3,(H,3,4);;;;;1H2/q;;;;4*+1;/p-4
InChIKeyYPZDTWUAXXLAJE-UHFFFAOYSA-J
XLogP-17.78
TPSA192.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 5-17.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

sodium;acetate;trihydrate
CID 23665404
disodium;acetate;chloride;trihydrate
CID 160847584
sodium;azane;acetate;hydrate
CID 173286300
nonasodium;nonaacetate
CID 173443222
disodium;acetic acid;diacetate;dihydrate
CID 157440241
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
praseodymium(3+);triacetate;trihydrate
CID 172733090
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
sodium;acetate;trihydrofluoride
CID 172761892
vanadium;triacetate;hydrate
CID 102418603

Frequently Asked Questions

What is the IUPAC name of tetrasodium;tetraacetate;hydrate?
The IUPAC name of tetrasodium;tetraacetate;hydrate (CID 141360802) is tetrasodium;tetraacetate;hydrate.
What is the SMILES notation for tetrasodium;tetraacetate;hydrate?
The canonical SMILES for tetrasodium;tetraacetate;hydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;tetraacetate;hydrate?
The InChIKey is YPZDTWUAXXLAJE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H4O2.4Na.H2O/c4*1-2(3)4;;;;;/h4*1H3,(H,3,4);;;;;1H2/q;;;;4*+1;/p-4.
What are the key properties of tetrasodium;tetraacetate;hydrate?
tetrasodium;tetraacetate;hydrate has a molecular weight of 346.15 g/mol, XLogP of -17.78, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;tetraacetate;hydrate is sourced from PubChem (CID 141360802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).