potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid

C4H10KN2O8P — CID 175549921

IUPACpotassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid
SMILESCC#N.N.O=C([O-])C(=O)O.O=P(O)(O)O.[K+]
InChIInChI=1S/C2H3N.C2H2O4.K.H3N.H3O4P/c1-2-3;3-1(4)2(5)6;;;1-5(2,3)4/h1H3;(H,3,4)(H,5,6);;1H3;(H3,1,2,3,4)/q;;+1;;/p-1
InChIKeyYWPOABKBJOEJJP-UHFFFAOYSA-M
MW284.20 g/mol
LogP-5.41
Rot. Bonds

About potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid

potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid (PubChem CID 175549921) has the molecular formula C4H10KN2O8P and a molecular weight of 284.20 g/mol. Its IUPAC name is potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid.

Molecular Properties

Compound Namepotassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid
PubChem CID175549921
Molecular FormulaC4H10KN2O8P
Molecular Weight284.20 g/mol
Exact Mass283.98
IUPAC Namepotassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid
SMILESCC#N.N.O=C([O-])C(=O)O.O=P(O)(O)O.[K+]
InChIInChI=1S/C2H3N.C2H2O4.K.H3N.H3O4P/c1-2-3;3-1(4)2(5)6;;;1-5(2,3)4/h1H3;(H,3,4)(H,5,6);;1H3;(H3,1,2,3,4)/q;;+1;;/p-1
InChIKeyYWPOABKBJOEJJP-UHFFFAOYSA-M
XLogP-5.41
TPSA213.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 5-5.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
potassium;azane;phosphoric acid;acetate
CID 175960503
tripotassium;acetonitrile;phosphate
CID 162129988
acetonitrile;azane;carbonic acid;methanol
CID 174612682
azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
acetonitrile;nickel(2+);diacetate
CID 161496135
bis(lanthanum(3+));phosphoric acid;tricarbonate;pentahydrate
CID 18442146
calcium;azane;phosphoric acid;carbonate
CID 173259238
acetic acid;pentakis(acetonitrile)
CID 173433569
hydron;2-hydroxy-2-oxoacetate
CID 173323775
potassium;azane;hydride;phosphoric acid;hydrate
CID 173006225
azane;phosphoric acid;hydrate
CID 173222009

Frequently Asked Questions

What is the IUPAC name of potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid?
The IUPAC name of potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid (CID 175549921) is potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid.
What is the SMILES notation for potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid?
The canonical SMILES for potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid is CC#N.N.O=C([O-])C(=O)O.O=P(O)(O)O.[K+].
What is the InChIKey of potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid?
The InChIKey is YWPOABKBJOEJJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3N.C2H2O4.K.H3N.H3O4P/c1-2-3;3-1(4)2(5)6;;;1-5(2,3)4/h1H3;(H,3,4)(H,5,6);;1H3;(H3,1,2,3,4)/q;;+1;;/p-1.
What are the key properties of potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid?
potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid has a molecular weight of 284.20 g/mol, XLogP of -5.41, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetonitrile;azane;2-hydroxy-2-oxoacetate;phosphoric acid is sourced from PubChem (CID 175549921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).