magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate

C10H18KMgNa2O14P — CID 173174161

IUPACmagnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=P([O-])([O-])O.[K+].[Mg+2].[Na+].[Na+]
InChIInChI=1S/5C2H4O2.K.Mg.2Na.H3O4P/c5*1-2(3)4;;;;;1-5(2,3)4/h5*1H3,(H,3,4);;;;;(H3,1,2,3,4)/q;;;;;+1;+2;2*+1;/p-5
InChIKeyMDMGFHBNHBFEGT-UHFFFAOYSA-I
MW502.60 g/mol
LogP-15.11
Rot. Bonds

About magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate

magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate (PubChem CID 173174161) has the molecular formula C10H18KMgNa2O14P and a molecular weight of 502.60 g/mol. Its IUPAC name is magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate.

Molecular Properties

Compound Namemagnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate
PubChem CID173174161
Molecular FormulaC10H18KMgNa2O14P
Molecular Weight502.60 g/mol
Exact Mass501.97
IUPAC Namemagnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate
SMILESCC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=P([O-])([O-])O.[K+].[Mg+2].[Na+].[Na+]
InChIInChI=1S/5C2H4O2.K.Mg.2Na.H3O4P/c5*1-2(3)4;;;;;1-5(2,3)4/h5*1H3,(H,3,4);;;;;(H3,1,2,3,4)/q;;;;;+1;+2;2*+1;/p-5
InChIKeyMDMGFHBNHBFEGT-UHFFFAOYSA-I
XLogP-15.11
TPSA278.41 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 5-15.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

trisodium;acetic acid;hydrogen phosphate;chloride
CID 175955143
calcium;acetic acid;hydrogen phosphate
CID 155194224
disodium;dihydrogen phosphate;acetate
CID 86638819
trisodium;dihydrogen phosphate;acetate;chloride
CID 159492311
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
tetrasodium;acetic acid;tetraacetate
CID 175423347
disodium;acetic acid;diacetate
CID 173429672
dipotassium;acetic acid;diacetate
CID 158588749
sodium;acetic acid;acetate
CID 173223990
potassium;azane;phosphoric acid;acetate
CID 175960503
trisodium;hydrogen carbonate;hydrogen phosphate;dodecahydrate
CID 171618246
potassium;acetic acid;phosphane;acetate
CID 172706632

Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate?
The IUPAC name of magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate (CID 173174161) is magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate.
What is the SMILES notation for magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate?
The canonical SMILES for magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate is CC(=O)O.CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=P([O-])([O-])O.[K+].[Mg+2].[Na+].[Na+].
What is the InChIKey of magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate?
The InChIKey is MDMGFHBNHBFEGT-UHFFFAOYSA-I. The full InChI is InChI=1S/5C2H4O2.K.Mg.2Na.H3O4P/c5*1-2(3)4;;;;;1-5(2,3)4/h5*1H3,(H,3,4);;;;;(H3,1,2,3,4)/q;;;;;+1;+2;2*+1;/p-5.
What are the key properties of magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate?
magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate has a molecular weight of 502.60 g/mol, XLogP of -15.11, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;potassium;disodium;acetic acid;hydrogen phosphate;triacetate is sourced from PubChem (CID 173174161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).