potassium ({[(dioxotriboroxan-3-yl)oxy]borinato}oxy)(oxo)borane octahydrate

• ChemBase ID: 303375
• Molecular Formular: B5H19KO16
• Molecular Mass: 368.29456
• Monoisotopic Mass: 369.07754321
• SMILES: O=[BH]OB(OB(O[BH]=O)O[BH]=O)[O-].[K+].O.O.O.O.O.O.O.O
• Canonical SMILES: O=[BH]OB(OB(O[BH]=O)O[BH]=O)[O-].O.O.O.O.O.O.O.O.[K+]
• InChI: InChI=1S/B5O8.K.8H2O/c6-1-10-4(9)13-5(11-2-7)12-3-8;;;;;;;;;/h;;8*1H2/q-1;+1
• InChIKey: KUWJALGONHOGOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium ({[(dioxotriboroxan-3-yl)oxy]borinato}oxy)(oxo)borane octahydrate
• IUPAC Traditional name: potassium {[(dioxotriboroxan-3-yl)oxyborinato]oxy}(oxo)borane octahydrate
• Synonyms: Potassium borate; Potassium pentaborate octahydrate; 五硼酸钾八水合物

Database IDs

• CAS Number: 12229-13-9
• MDL Number: MFCD00213879

CALCULATED PROPERTIES

• Acid pKa: 8.493944
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.9939623
• LogD (pH = 7.4): 4.9609466
• Log P: 4.9944
• Molar Refractivity: 11.1724 cm^3
• Polarizability: 13.600154 Å^3
• Polar Surface Area: 111.19 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Powder
• Melting Point: 780°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%