(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

• ChemBase ID: 105831
• Molecular Formular: C6H12O6
• Molecular Mass: 180.15588
• Monoisotopic Mass: 180.0633881
• SMILES: O[C@H]1[C@H](O)[C@H](O[C@]1(O)CO)CO
• Canonical SMILES: OC[C@H]1O[C@]([C@H]([C@@H]1O)O)(O)CO
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
• IUPAC Traditional name: fructose
• Synonyms: D-Levulose; D-Fructose; β-D-(-)-levulose; β-D-(-)-FRUCTOSE; fruit sugar; levulosr; D-fructofuranosr; D-fructosr; D-arabino-hexulose; Fructose; D-果糖

Database IDs

• CAS Number: 57-48-7
• EC Number: 200-333-3
• MDL Number: MFCD00148910
• Beilstein Number: 1239004
• Merck Index: 144273
• PubChem SID: 162086860
• PubChem CID: 439709; 11769129
• CHEBI ID: 28645
• ATC CODE: V06DC02
• CHEMBL: 604608
• Chemspider ID: 388775
• KEGG ID: C02336
• Unique Ingredient Identifier: 6YSS42VSEV
• Wikipedia Title: Fructose

CALCULATED PROPERTIES

• Acid pKa: 10.284335
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -2.7580063
• LogD (pH = 7.4): -2.7585652
• Log P: -2.7579994
• Molar Refractivity: 36.3608 cm^3
• Polarizability: 15.155883 Å^3
• Polar Surface Area: 110.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103°C; 104°C; ca 105-110°C
• Density: 1.59; 1.6 g/ml; 1.694 g/cm^3
• Optical Rotation: -89 (c=2 in water)

Safety Information

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

Product Information

• Purity: ≥99%; 99%

DETAILS

MP Biomedicals - 02194667

Cell Culture Reagent
Purity: 99+%