(4S,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol

• ChemBase ID: 178916
• Molecular Formular: C26H28O5
• Molecular Mass: 420.49752
• Monoisotopic Mass: 420.193674
• SMILES: [C@H]1(C(C(O[C@@H]1COCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: OC1O[C@@H]([C@@H](C1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
• 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(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24+,25?,26?/m1/s1
• InChIKey: NAQUAXSCBJPECG-XVEYRBBLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol
• IUPAC Traditional name: (4S,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol
• Synonyms: 2,3,5-Tri-O-benzyl-D-ribofuranose

Database IDs

• CAS Number: 89615-45-2
• PubChem SID: 164234826
• PubChem CID: 45040592

CALCULATED PROPERTIES

• Acid pKa: 11.343033
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.800594
• LogD (pH = 7.4): 4.800545
• Log P: 4.800595
• Molar Refractivity: 118.0523 cm^3
• Polarizability: 46.89731 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Off-White to Pale Yellow Solid
• Melting Point: 54-55°C

Safety Information

• Storage Condition: -20°C Freezer