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

• ChemBase ID: 161907
• Molecular Formular: C34H36O6
• Molecular Mass: 540.64604
• Monoisotopic Mass: 540.25118887
• SMILES: [C@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COCc1ccccc1)OCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: O[C@@H]1[C@H](OCc2ccccc2)O[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
• InChI: InChI=1S/C34H36O6/c35-31-33(38-23-28-17-9-3-10-18-28)32(37-22-27-15-7-2-8-16-27)30(25-36-21-26-13-5-1-6-14-26)40-34(31)39-24-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34-/m1/s1
• InChIKey: AFHZEIVSXDXEMO-BGSSSCFASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5S,6R)-2,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-3-ol
• IUPAC Traditional name: (2R,3R,4R,5S,6R)-2,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-3-ol
• Synonyms: Phenylmethyl 3,4,6-Tris-O-(phenylmethyl)-β-D-galactopyranoside; Benzyl 3,4,6-Tri-O-benzyl-β-D-galactopyranoside

Database IDs

• CAS Number: 61820-04-0
• PubChem SID: 162256042
• PubChem CID: 11103507

CALCULATED PROPERTIES

• Acid pKa: 12.362636
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 6.5378594
• LogD (pH = 7.4): 6.5378547
• Log P: 6.5378594
• Molar Refractivity: 153.3786 cm^3
• Polarizability: 60.869522 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 54-55°C

Safety Information

• Storage Condition: Refrigerator