potassium;sodium;phosphono hydrogen phosphate;acetate

C2H6KNaO9P2 — CID 141113302

IUPACpotassium;sodium;phosphono hydrogen phosphate;acetate
SMILESCC(=O)[O-].O=P([O-])(O)OP(=O)(O)O.[K+].[Na+]
InChIInChI=1S/C2H4O2.K.Na.H4O7P2/c1-2(3)4;;;1-8(2,3)7-9(4,5)6/h1H3,(H,3,4);;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2
InChIKeyYPHBSHNEMMNREZ-UHFFFAOYSA-L
MW298.10 g/mol
LogP-8.68
Rot. Bonds2

About potassium;sodium;phosphono hydrogen phosphate;acetate

potassium;sodium;phosphono hydrogen phosphate;acetate (PubChem CID 141113302) has the molecular formula C2H6KNaO9P2 and a molecular weight of 298.10 g/mol. Its IUPAC name is potassium;sodium;phosphono hydrogen phosphate;acetate.

Molecular Properties

Compound Namepotassium;sodium;phosphono hydrogen phosphate;acetate
PubChem CID141113302
Molecular FormulaC2H6KNaO9P2
Molecular Weight298.10 g/mol
Exact Mass297.90
IUPAC Namepotassium;sodium;phosphono hydrogen phosphate;acetate
SMILESCC(=O)[O-].O=P([O-])(O)OP(=O)(O)O.[K+].[Na+]
InChIInChI=1S/C2H4O2.K.Na.H4O7P2/c1-2(3)4;;;1-8(2,3)7-9(4,5)6/h1H3,(H,3,4);;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2
InChIKeyYPHBSHNEMMNREZ-UHFFFAOYSA-L
XLogP-8.68
TPSA167.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 5-8.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;phosphono hydrogen phosphate;acetate?
The IUPAC name of potassium;sodium;phosphono hydrogen phosphate;acetate (CID 141113302) is potassium;sodium;phosphono hydrogen phosphate;acetate.
What is the SMILES notation for potassium;sodium;phosphono hydrogen phosphate;acetate?
The canonical SMILES for potassium;sodium;phosphono hydrogen phosphate;acetate is CC(=O)[O-].O=P([O-])(O)OP(=O)(O)O.[K+].[Na+].
What is the InChIKey of potassium;sodium;phosphono hydrogen phosphate;acetate?
The InChIKey is YPHBSHNEMMNREZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.K.Na.H4O7P2/c1-2(3)4;;;1-8(2,3)7-9(4,5)6/h1H3,(H,3,4);;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2.
What are the key properties of potassium;sodium;phosphono hydrogen phosphate;acetate?
potassium;sodium;phosphono hydrogen phosphate;acetate has a molecular weight of 298.10 g/mol, XLogP of -8.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;phosphono hydrogen phosphate;acetate is sourced from PubChem (CID 141113302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).