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

• ChemBase ID: 104015
• Molecular Formular: C26H28O5
• Molecular Mass: 420.49752
• Monoisotopic Mass: 420.193674
• SMILES: O[C@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• Canonical SMILES: O[C@H]1O[C@H]([C@@H]([C@H]1OCc1ccccc1)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-/m0/s1
• InChIKey: NAQUAXSCBJPECG-SSUZURRFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5S)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol
• IUPAC Traditional name: (2S,3R,4S,5S)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-ol
• Synonyms: 2,3,5-TRI-O-BENZYL-β-L-ARABINOFURANOSE; 2,3,5-Tri-O-benzyl-β-L-arabinofuranose

Database IDs

• CAS Number: 89615-42-9
• MDL Number: MFCD00053542
• PubChem SID: 24900524; 162091477
• PubChem CID: 12933788

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

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C26H28O5