dipotassium;hydron;phosphonato phosphate

H2K2O7P2 — CID 18430364

IUPACdipotassium;hydron;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[H+].[H+].[K+].[K+]
InChIInChI=1S/2K.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyCQAIPTBBCVQRMD-UHFFFAOYSA-L
MW254.15 g/mol
LogP-9.11
Rot. Bonds2

About dipotassium;hydron;phosphonato phosphate

dipotassium;hydron;phosphonato phosphate (PubChem CID 18430364) has the molecular formula H2K2O7P2 and a molecular weight of 254.15 g/mol. Its IUPAC name is dipotassium;hydron;phosphonato phosphate.

Molecular Properties

Compound Namedipotassium;hydron;phosphonato phosphate
PubChem CID18430364
Molecular FormulaH2K2O7P2
Molecular Weight254.15 g/mol
Exact Mass253.85
IUPAC Namedipotassium;hydron;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[H+].[H+].[K+].[K+]
InChIInChI=1S/2K.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyCQAIPTBBCVQRMD-UHFFFAOYSA-L
XLogP-9.11
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 5-9.11
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 dipotassium;hydron;phosphonato phosphate?
The IUPAC name of dipotassium;hydron;phosphonato phosphate (CID 18430364) is dipotassium;hydron;phosphonato phosphate.
What is the SMILES notation for dipotassium;hydron;phosphonato phosphate?
The canonical SMILES for dipotassium;hydron;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[H+].[H+].[K+].[K+].
What is the InChIKey of dipotassium;hydron;phosphonato phosphate?
The InChIKey is CQAIPTBBCVQRMD-UHFFFAOYSA-L. The full InChI is InChI=1S/2K.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2.
What are the key properties of dipotassium;hydron;phosphonato phosphate?
dipotassium;hydron;phosphonato phosphate has a molecular weight of 254.15 g/mol, XLogP of -9.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydron;phosphonato phosphate is sourced from PubChem (CID 18430364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).