tripotassium;hydron;phosphonato phosphate

HK3O7P2 — CID 18430366

IUPACtripotassium;hydron;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[H+].[K+].[K+].[K+]
InChIInChI=1S/3K.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3
InChIKeyLSKHZZSZLMMIMU-UHFFFAOYSA-K
MW292.24 g/mol
LogP-12.22
Rot. Bonds2

About tripotassium;hydron;phosphonato phosphate

tripotassium;hydron;phosphonato phosphate (PubChem CID 18430366) has the molecular formula HK3O7P2 and a molecular weight of 292.24 g/mol. Its IUPAC name is tripotassium;hydron;phosphonato phosphate.

Molecular Properties

Compound Nametripotassium;hydron;phosphonato phosphate
PubChem CID18430366
Molecular FormulaHK3O7P2
Molecular Weight292.24 g/mol
Exact Mass291.81
IUPAC Nametripotassium;hydron;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[H+].[K+].[K+].[K+]
InChIInChI=1S/3K.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3
InChIKeyLSKHZZSZLMMIMU-UHFFFAOYSA-K
XLogP-12.22
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-12.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripotassium;hydron;phosphonato phosphate?
The IUPAC name of tripotassium;hydron;phosphonato phosphate (CID 18430366) is tripotassium;hydron;phosphonato phosphate.
What is the SMILES notation for tripotassium;hydron;phosphonato phosphate?
The canonical SMILES for tripotassium;hydron;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[H+].[K+].[K+].[K+].
What is the InChIKey of tripotassium;hydron;phosphonato phosphate?
The InChIKey is LSKHZZSZLMMIMU-UHFFFAOYSA-K. The full InChI is InChI=1S/3K.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3.
What are the key properties of tripotassium;hydron;phosphonato phosphate?
tripotassium;hydron;phosphonato phosphate has a molecular weight of 292.24 g/mol, XLogP of -12.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;hydron;phosphonato phosphate is sourced from PubChem (CID 18430366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).