(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal

• ChemBase ID: 102396
• Molecular Formular: C6H12O5
• Molecular Mass: 164.15648
• Monoisotopic Mass: 164.06847348
• SMILES: O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C
• Canonical SMILES: O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O
• InChI: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1
• InChIKey: PNNNRSAQSRJVSB-DPYQTVNSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
• IUPAC Traditional name: aldehydo-D-fucose
• Synonyms: D-Fucose; Rhodeose; 6-DEOXY-D-GALACTOSE; 6-DESOXY-D-GALACTOSE; 6-Deoxy-D-galactose; D-(+)-Fucose; D-(+)-岩藻糖

Database IDs

• CAS Number: 3615-37-0
• EC Number: 222-792-9
• MDL Number: MFCD00135603
• Beilstein Number: 1723320
• Merck Index: 144278
• PubChem SID: 24894959; 162088657
• PubChem CID: 94270

CALCULATED PROPERTIES

• Acid pKa: 12.305727
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.5214508
• LogD (pH = 7.4): -2.521456
• Log P: -2.5214505
• Molar Refractivity: 35.8019 cm^3
• Polarizability: 14.534815 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-141°C; 137-138°C; 144-145 °C(lit.)
• Optical Rotation: +76 (c=10 in water)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; 99%

DETAILS

MP Biomedicals - 05212793

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101485

Crystalline

Sigma Aldrich - F8150

包装
1, 5 g in poly bottle
500 mg in poly bottle