(2R,4R,5R)-3,4,5-tris(benzyloxy)oxan-2-ol

• ChemBase ID: 302610
• Molecular Formular: C26H28O5
• Molecular Mass: 420.49752
• Monoisotopic Mass: 420.193674
• SMILES: c1ccc(cc1)CO[C@@H]1CO[C@H](C([C@@H]1OCc1ccccc1)OCc1ccccc1)O
• Canonical SMILES: O[C@@H]1OC[C@H]([C@H](C1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C26H28O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25?,26-/m1/s1
• InChIKey: HTSKDJMXBBFKKG-RRPQGLSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4R,5R)-3,4,5-tris(benzyloxy)oxan-2-ol
• IUPAC Traditional name: (2R,4R,5R)-3,4,5-tris(benzyloxy)oxan-2-ol
• Synonyms: 2,3,4-Tri-O-benzyl-beta-L-arabinopyranose; 2,3,4-三-O-苯甲基-β-L-阿拉伯呱喃糖

Database IDs

• CAS Number: 77943-33-0
• MDL Number: MFCD05664044

CALCULATED PROPERTIES

• Acid pKa: 11.352394
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.800594
• LogD (pH = 7.4): 4.800546
• Log P: 4.800595
• Molar Refractivity: 118.0523 cm^3
• Polarizability: 46.897305 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-88°C
• Optical Rotation: +78 (c=1 in methanol)

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%