{[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid potassium

• ChemBase ID: 134236
• Molecular Formular: C6H13KO9P
• Molecular Mass: 299.234081
• Monoisotopic Mass: 298.99342531
• SMILES: C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O.[K]
• Canonical SMILES: OCC1(O)OC(C(C1O)O)COP(=O)(O)O.[K]
• InChI: InChI=1S/C6H13O9P.K/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13;/h3-5,7-10H,1-2H2,(H2,11,12,13)
• InChIKey: QGPSDEVNXCUGNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid potassium
• IUPAC Traditional name: fructose 6-phosphate potassium
• Synonyms: D-Fructose 6-phosphate dipotassium salt; D-果糖-6-磷酸 二钾盐

Database IDs

• CAS Number: 103213-47-4
• MDL Number: MFCD00069682
• PubChem SID: 162228513; 24894770
• PubChem CID: 16219351

CALCULATED PROPERTIES

• Acid pKa: 1.2216753
• H Acceptors: 8
• H Donor: 6
• LogD (pH = 5.5): -5.32372
• LogD (pH = 7.4): -6.4153204
• Log P: -2.8815653
• Molar Refractivity: 47.2337 cm^3
• Polarizability: 19.793747 Å^3
• Polar Surface Area: 156.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: amorphous powder

Safety Information

• German water hazard class: 1
• Storage Temperature: -20°C

Product Information

• Purity: ≥97% (enzymatic)
• Impurities: ≤0.05 mol % fructose 1,6-diphosphate; ≤1.5 mol % glucose 6-phosphate

DETAILS

Sigma Aldrich - F1502

Application
D-Fructose 6-phosphate (F6P) is a sugar intermediate of the glycolytic pathway used to identify, differentiate and characterize enzymes such as phosphofructokinase(s), pyrophosphate-dependent fructose-6-phosphate 1-phosphotransferase(s) and glutamine:fructose-6-phosphate amidotransferase(s).