tetrapotassium;boric acid;phosphonato phosphate

H3BK4O10P2 — CID 161108643

IUPACtetrapotassium;boric acid;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].OB(O)O.[K+].[K+].[K+].[K+]
InChIInChI=1S/BH3O3.4K.H4O7P2/c2-1(3)4;;;;;1-8(2,3)7-9(4,5)6/h2-4H;;;;;(H2,1,2,3)(H2,4,5,6)/q;4*+1;/p-4
InChIKeyDBEFYUZGIIHTCF-UHFFFAOYSA-J
MW392.17 g/mol
LogP-17.38
Rot. Bonds2

About tetrapotassium;boric acid;phosphonato phosphate

tetrapotassium;boric acid;phosphonato phosphate (PubChem CID 161108643) has the molecular formula H3BK4O10P2 and a molecular weight of 392.17 g/mol. Its IUPAC name is tetrapotassium;boric acid;phosphonato phosphate.

Molecular Properties

Compound Nametetrapotassium;boric acid;phosphonato phosphate
PubChem CID161108643
Molecular FormulaH3BK4O10P2
Molecular Weight392.17 g/mol
Exact Mass391.78
IUPAC Nametetrapotassium;boric acid;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].OB(O)O.[K+].[K+].[K+].[K+]
InChIInChI=1S/BH3O3.4K.H4O7P2/c2-1(3)4;;;;;1-8(2,3)7-9(4,5)6/h2-4H;;;;;(H2,1,2,3)(H2,4,5,6)/q;4*+1;/p-4
InChIKeyDBEFYUZGIIHTCF-UHFFFAOYSA-J
XLogP-17.38
TPSA196.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.17
LogP ≤ 5-17.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
phosphonato phosphate
CID 644102
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;boric acid;phosphonato phosphate?
The IUPAC name of tetrapotassium;boric acid;phosphonato phosphate (CID 161108643) is tetrapotassium;boric acid;phosphonato phosphate.
What is the SMILES notation for tetrapotassium;boric acid;phosphonato phosphate?
The canonical SMILES for tetrapotassium;boric acid;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].OB(O)O.[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;boric acid;phosphonato phosphate?
The InChIKey is DBEFYUZGIIHTCF-UHFFFAOYSA-J. The full InChI is InChI=1S/BH3O3.4K.H4O7P2/c2-1(3)4;;;;;1-8(2,3)7-9(4,5)6/h2-4H;;;;;(H2,1,2,3)(H2,4,5,6)/q;4*+1;/p-4.
What are the key properties of tetrapotassium;boric acid;phosphonato phosphate?
tetrapotassium;boric acid;phosphonato phosphate has a molecular weight of 392.17 g/mol, XLogP of -17.38, 2 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;boric acid;phosphonato phosphate is sourced from PubChem (CID 161108643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).