(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol

• ChemBase ID: 797144
• Molecular Formular: C34H36O6
• Molecular Mass: 540.64604
• Monoisotopic Mass: 540.25118887
• SMILES: O1C([C@@H]([C@H]([C@@H]([C@H]1COCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)O
• Canonical SMILES: OC1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34?/m1/s1
• InChIKey: OGOMAWHSXRDAKZ-BKJHVTENSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol
• IUPAC Traditional name: (3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol
• Synonyms: (3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)Methyl)tetrahydro-2H-pyran-2-ol

Database IDs

• CAS Number: 4132-28-9

CALCULATED PROPERTIES

• Acid pKa: 11.343017
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 6.5378585
• LogD (pH = 7.4): 6.53781
• Log P: 6.5378594
• Molar Refractivity: 153.3786 cm^3
• Polarizability: 60.869534 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%