(3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl acetate

• ChemBase ID: 159509
• Molecular Formular: C28H30O6
• Molecular Mass: 462.5342
• Monoisotopic Mass: 462.20423868
• SMILES: [C@@H]1(OCc2ccccc2)[C@@H](COCc2ccccc2)OC([C@@H]1OCc1ccccc1)OC(=O)C
• Canonical SMILES: CC(=O)OC1O[C@@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
• InChI: InChI=1S/C28H30O6/c1-21(29)33-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(34-28)20-30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27-,28?/m1/s1
• InChIKey: CPWPSDGLXXKBKZ-STQJPMTFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl acetate
• IUPAC Traditional name: (3R,4R,5R)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-yl acetate
• Synonyms: 2,3,5-Tris-O-(phenylmethyl)-D-ribofuranose Acetate; 1-O-Acetyl-2,3,5-tri-O-benzyl-D-ribofuranose

Database IDs

• CAS Number: 58381-23-0
• PubChem SID: 162253644
• PubChem CID: 14131030

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.24172
• LogD (pH = 7.4): 5.24172
• Log P: 5.24172
• Molar Refractivity: 127.2038 cm^3
• Polarizability: 50.72441 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Yellow Oil

Safety Information

• Storage Condition: Refrigerator