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

• ChemBase ID: 169464
• Molecular Formular: C6H12O6
• Molecular Mass: 180.15588
• Monoisotopic Mass: 180.0633881
• SMILES: C1[C@H]([C@@H](C([C@@](O1)(O)CO)O)O)O
• Canonical SMILES: OC[C@@]1(O)OC[C@H]([C@@H](C1O)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-WGDKFINWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
• IUPAC Traditional name: (2R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
• Synonyms: Advantose FS 95; D-(-)-Fructose; D-(-)-Levulose; D-Arabino-2-hexulose; Fructose; Fruit Sugar; Fujifructo L 95; Furucton; Hi-Fructo 970; Krystar; Krystar 300; Levulose; Nevulose; Sugar Fruit; D-Fructose

Database IDs

• CAS Number: 57-48-7
• PubChem SID: 162263596
• PubChem CID: 45039313

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: 36.3608 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

• Solubility: Water
• Apperance: White Solid
• Melting Point: 119-122°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - F792500

D-Fructose occurs in a large number of fruits, honey, and as the sole sugar in bull and human semen