[(2R,3S,4R,5S,6R)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate

• ChemBase ID: 84959
• Molecular Formular: C15H22O10
• Molecular Mass: 362.32918
• Monoisotopic Mass: 362.1212969
• SMILES: O1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1OC)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
• Canonical SMILES: CO[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12+,13-,14+,15-/m1/s1
• InChIKey: UYWUMFGDPBMNCA-QKGCVVFFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3S,4R,5S,6R)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3S,4R,5S,6R)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate
• Synonyms: 3,5-di(acetyloxy)-2-[(acetyloxy)methyl]-6-methoxytetrahydro-2H-pyran-4-yl acetate

Database IDs

• MDL Number: MFCD00275206
• PubChem SID: 162072075
• PubChem CID: 71299497

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.52491105
• LogD (pH = 7.4): -0.52491105
• Log P: -0.52491105
• Molar Refractivity: 77.2806 cm^3
• Polarizability: 32.43612 Å^3
• Polar Surface Area: 123.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true