[(2R,3R,4R)-3,4-bis(acetyloxy)-5-methoxyoxolan-2-yl]methyl acetate

• ChemBase ID: 174369
• Molecular Formular: C12H18O8
• Molecular Mass: 290.26652
• Monoisotopic Mass: 290.10016754
• SMILES: [C@H]1([C@H](OC([C@@H]1OC(=O)C)OC)COC(=O)C)OC(=O)C
• Canonical SMILES: COC1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)COC(=O)C
• InChI: InChI=1S/C12H18O8/c1-6(13)17-5-9-10(18-7(2)14)11(19-8(3)15)12(16-4)20-9/h9-12H,5H2,1-4H3/t9-,10-,11-,12?/m1/s1
• InChIKey: RUSRQHXGPHZZNI-KBIHSYGRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R,4R)-3,4-bis(acetyloxy)-5-methoxyoxolan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3R,4R)-3,4-bis(acetyloxy)-5-methoxyoxolan-2-yl]methyl acetate
• Synonyms: Methyl 2,3,5-Tri-O-acetyl-D-ribofuranoside

Database IDs

• PubChem SID: 164230279
• PubChem CID: 11231584

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.33570156
• LogD (pH = 7.4): -0.33570156
• Log P: -0.33570156
• Molar Refractivity: 62.1666 cm^3
• Polarizability: 26.068115 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dicholoromethane; Methanol
• Apperance: Clear Oil