(2R,3S,4S,5R)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diol

• ChemBase ID: 178253
• Molecular Formular: C34H38O6
• Molecular Mass: 542.66192
• Monoisotopic Mass: 542.26683894
• SMILES: C([C@H]([C@@H]([C@H]([C@@H](COCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)O
• Canonical SMILES: OC[C@H]([C@@H]([C@H]([C@@H](COCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H38O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-20,31-36H,21-26H2/t31-,32-,33+,34+/m1/s1
• InChIKey: MQOUZFJJURBWAX-WZJLIZBTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4S,5R)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diol
• IUPAC Traditional name: (2R,3S,4S,5R)-2,3,4,6-tetrakis(benzyloxy)hexane-1,5-diol
• Synonyms: 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucitol; 2,3,4,6-Tetra-O-benzyl-D-glucitol; 1,3,4,5-Tetra-O-benzyl-D-glucitol

Database IDs

• CAS Number: 14233-48-8
• PubChem SID: 164234163
• PubChem CID: 71752408

CALCULATED PROPERTIES

• Acid pKa: 13.311381
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 5.74038
• LogD (pH = 7.4): 5.7403793
• Log P: 5.74038
• Molar Refractivity: 155.8588 cm^3
• Polarizability: 61.528343 Å^3
• Polar Surface Area: 77.38 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethanol; Methanol
• Apperance: Colourless Liquid