(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

• ChemBase ID: 102568
• Molecular Formular: C6H12O6
• Molecular Mass: 180.15588
• Monoisotopic Mass: 180.0633881
• SMILES: O1C[C@H]([C@H]([C@@H]([C@@]1(O)CO)O)O)O
• Canonical SMILES: OC[C@@]1(O)OC[C@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: LKDRXBCSQODPBY-ARQDHWQXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
• IUPAC Traditional name: β-D-fructopyranose
• Synonyms: β-D-(-)-levulose; Fruit sugar; β-D-(-)-FRUCTOSE

Database IDs

• CAS Number: 57-48-7
• EC Number: 200-333-3
• PubChem SID: 162089946
• PubChem CID: 24310

CALCULATED PROPERTIES

• Acid pKa: 10.291031
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -2.7580063
• LogD (pH = 7.4): -2.7585566
• Log P: -2.7579994
• Molar Refractivity: 36.360798 cm^3
• Polarizability: 15.155883 Å^3
• Polar Surface Area: 110.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104°C
• Density: 1.6 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LS7120000

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02102186

Purity: 99+%
Crystalline