[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phosphonic acid potassium

• ChemBase ID: 134234
• Molecular Formular: C6H13KO9P
• Molecular Mass: 299.234081
• Monoisotopic Mass: 298.99342531
• SMILES: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O.[K]
• Canonical SMILES: OC1OC(COP(=O)(O)O)C(C(C1O)O)O.[K]
• InChI: InChI=1S/C6H13O9P.K/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13)
• InChIKey: IQDYKIAPIANZHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phosphonic acid potassium
• IUPAC Traditional name: glucose 6-phosphate potassium
• Synonyms: D(+)-Glucopyranose 6-phosphate potassium salt; Robison ester; D-Glucose 6-phosphate potassium salt

Database IDs

• CAS Number: 103192-55-8
• MDL Number: MFCD00136042
• PubChem SID: 24895260; 162228511
• PubChem CID: 16219431

CALCULATED PROPERTIES

• Acid pKa: 1.2229363
• H Acceptors: 8
• H Donor: 6
• LogD (pH = 5.5): -5.498048
• LogD (pH = 7.4): -6.5882425
• Log P: -3.0561051
• Molar Refractivity: 46.7963 cm^3
• Polarizability: 19.793747 Å^3
• Polar Surface Area: 156.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95%