dipotassium ({[(dioxotriboroxan-3-yl)oxy]({[({[(oxoboranyl boronato)oxy][(oxoboranyl)oxy]boranyl}oxy)borinato]oxy})boranyl}oxy)(oxo)borane octahydrate

• ChemBase ID: 104540
• Molecular Formular: B10H21K2O24
• Molecular Mass: 591.45894
• Monoisotopic Mass: 593.06274391
• SMILES: O.O.O.O.O.O.O.O.[K+].[K+].[O-]B(O[BH]=O)OB(O[BH]=O)OB([O-])OB(O[BH]=O)OB(O[BH]=O)O[BH]=O
• Canonical SMILES: O=[BH]OB(OB(OB(OB(O[BH]=O)O[BH]=O)O[BH]=O)[O-])OB(O[BH]=O)[O-].O.O.O.O.O.O.O.O.[K+].[K+]
• InChI: InChI=1S/B10O16.2K.8H2O/c11-1-18-6(16)23-9(21-4-14)24-7(17)25-10(22-5-15)26-8(19-2-12)20-3-13;;;;;;;;;;/h;;;8*1H2/q-2;2*+1
• InChIKey: AXTXIARPFKLBPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium ({[(dioxotriboroxan-3-yl)oxy]({[({[(oxoboranyl boronato)oxy][(oxoboranyl)oxy]boranyl}oxy)borinato]oxy})boranyl}oxy)(oxo)borane octahydrate
• IUPAC Traditional name: dipotassium ion ({[(dioxotriboroxan-3-yl)oxy][({[(oxoboranyl boronato)oxy][(oxoboranyl)oxy]boranyl}oxyborinato)oxy]boranyl}oxy)(oxo)borane octahydrate
• Synonyms: POTASSIUM PENTABORATE OCTAHYDRATE

Database IDs

• CAS Number: 11128-29-3
• EC Number: 234-371-7
• PubChem SID: 162092782
• PubChem CID: 44134903

CALCULATED PROPERTIES

• Acid pKa: 8.262202
• H Acceptors: 11
• H Donor: 0
• LogD (pH = 5.5): 10.610654
• LogD (pH = 7.4): 10.554674
• Log P: 10.6114
• Molar Refractivity: 22.2521 cm^3
• Polarizability: 27.31614 Å^3
• Polar Surface Area: 214.54 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: >99.5%

DETAILS

MP Biomedicals - 02156341

Octahydrate
Purity: >99.5%
Crystalline
pH of a 1% solution of 25°C = 8.4.