trisodium;acetic acid;hydrogen phosphate;chloride

C2H5ClNa3O6P — CID 175955143

IUPACtrisodium;acetic acid;hydrogen phosphate;chloride
SMILESCC(=O)O.O=P([O-])([O-])O.[Cl-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.ClH.3Na.H3O4P/c1-2(3)4;;;;;1-5(2,3)4/h1H3,(H,3,4);1H;;;;(H3,1,2,3,4)/q;;3*+1;/p-3
InChIKeyLYIRPUGIDGUGRA-UHFFFAOYSA-K
MW260.45 g/mol
LogP-14.09
Rot. Bonds

About trisodium;acetic acid;hydrogen phosphate;chloride

trisodium;acetic acid;hydrogen phosphate;chloride (PubChem CID 175955143) has the molecular formula C2H5ClNa3O6P and a molecular weight of 260.45 g/mol. Its IUPAC name is trisodium;acetic acid;hydrogen phosphate;chloride.

Molecular Properties

Compound Nametrisodium;acetic acid;hydrogen phosphate;chloride
PubChem CID175955143
Molecular FormulaC2H5ClNa3O6P
Molecular Weight260.45 g/mol
Exact Mass259.92
IUPAC Nametrisodium;acetic acid;hydrogen phosphate;chloride
SMILESCC(=O)O.O=P([O-])([O-])O.[Cl-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H4O2.ClH.3Na.H3O4P/c1-2(3)4;;;;;1-5(2,3)4/h1H3,(H,3,4);1H;;;;(H3,1,2,3,4)/q;;3*+1;/p-3
InChIKeyLYIRPUGIDGUGRA-UHFFFAOYSA-K
XLogP-14.09
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 5-14.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

calcium;acetic acid;hydrogen phosphate
CID 155194224
magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate
CID 173174161
trisodium;dihydrogen phosphate;acetate;chloride
CID 159492311
trisodium;hydrogen phosphate;methanolate
CID 174908769
tetrasodium;acetic acid;azane;hydride;phosphoric acid
CID 173436604
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
disodium;dihydrogen phosphate;acetate
CID 86638819
acetic acid;cobalt;phosphoric acid
CID 174842184
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
acetic acid;tris(yttrium)
CID 59994727
azanium;potassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride
CID 159394679

Frequently Asked Questions

What is the IUPAC name of trisodium;acetic acid;hydrogen phosphate;chloride?
The IUPAC name of trisodium;acetic acid;hydrogen phosphate;chloride (CID 175955143) is trisodium;acetic acid;hydrogen phosphate;chloride.
What is the SMILES notation for trisodium;acetic acid;hydrogen phosphate;chloride?
The canonical SMILES for trisodium;acetic acid;hydrogen phosphate;chloride is CC(=O)O.O=P([O-])([O-])O.[Cl-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;acetic acid;hydrogen phosphate;chloride?
The InChIKey is LYIRPUGIDGUGRA-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H4O2.ClH.3Na.H3O4P/c1-2(3)4;;;;;1-5(2,3)4/h1H3,(H,3,4);1H;;;;(H3,1,2,3,4)/q;;3*+1;/p-3.
What are the key properties of trisodium;acetic acid;hydrogen phosphate;chloride?
trisodium;acetic acid;hydrogen phosphate;chloride has a molecular weight of 260.45 g/mol, XLogP of -14.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;acetic acid;hydrogen phosphate;chloride is sourced from PubChem (CID 175955143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).