(2R,3S)-2-[(benzoyloxy)methyl]-5-methoxyoxolan-3-yl benzoate

• ChemBase ID: 172932
• Molecular Formular: C20H20O6
• Molecular Mass: 356.3692
• Monoisotopic Mass: 356.12598836
• SMILES: [C@@H]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC(C1)OC
• Canonical SMILES: COC1O[C@@H]([C@H](C1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
• InChI: InChI=1S/C20H20O6/c1-23-18-12-16(26-20(22)15-10-6-3-7-11-15)17(25-18)13-24-19(21)14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3/t16-,17+,18?/m0/s1
• InChIKey: FKSXOZQTBMQUJG-MYFVLZFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2-[(benzoyloxy)methyl]-5-methoxyoxolan-3-yl benzoate
• IUPAC Traditional name: (2R,3S)-2-[(benzoyloxy)methyl]-5-methoxyoxolan-3-yl benzoate
• Synonyms: Methyl 2-Deoxy-D-erythro-pentofuranoside Dibenzoate; Methyl 2-Deoxy-D-ribofuranoside Dibenzoate; 1-Methoxy-2-deoxy-3,5-di-O-benzoylribofuranose

Database IDs

• CAS Number: 108647-88-7
• PubChem SID: 164228842
• PubChem CID: 22215579

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.23216
• LogD (pH = 7.4): 4.23216
• Log P: 4.23216
• Molar Refractivity: 92.8454 cm^3
• Polarizability: 36.810116 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Solid (Gel)

DETAILS

Toronto Research Chemicals - M262415

An intermediate for the production of antiviral and anticancer research chemicals