Record Information
Version1.0
Creation date2010-04-08 22:11:51 UTC
Update date2015-07-20 23:18:27 UTC
Primary IDFDB015457
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium tetraborate
Descriptiondipotassium oxoboranyl [(oxoboranyl boronato)oxy]boronate belongs to the class of inorganic compounds known as alkali metal borates. These are inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal. Based on a literature review very few articles have been published on dipotassium oxoboranyl [(oxoboranyl boronato)oxy]boronate.
CAS Number1332-77-0
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP3.44ChemAxon
pKa (Strongest Acidic)8.19ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area107.95 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity9.82 m³·mol⁻¹ChemAxon
Polarizability12.42 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaB4K2O7
IUPAC namedipotassium oxoboranyl [(oxoboranyl boronato)oxy]boronate
InChI IdentifierInChI=1S/B4O7.2K/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1
InChI KeyANMPYCUUTKQHJW-UHFFFAOYSA-N
Isomeric SMILES[K+].[K+].[O-]B(OB=O)OB([O-])OB=O
Average Molecular Weight233.436
Monoisotopic Molecular Weight233.92903794
Classification
Description Belongs to the class of inorganic compounds known as alkali metal borates. These are inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal borates
Direct ParentAlkali metal borates
Alternative Parents
Substituents
  • Borate
  • Alkali metal borate
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-1290000000-810c3a3c8acbf6ee99dd2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0f89-4950000000-79651c3e70efba800cfc2019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-053r-9500000000-f21a93d5f2c03683e8152019-02-23View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKCG81-U:KCG81-U
EAFUS ID3112
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference