2-(acetyloxy)-1-[(2S,3S,4R,5S)-3,4,5-tris(acetyloxy)oxolan-2-yl]ethyl acetate

• ChemBase ID: 195224
• Molecular Formular: C16H22O11
• Molecular Mass: 390.33928
• Monoisotopic Mass: 390.11621152
• SMILES: [C@H]1([C@H]([C@@H](O[C@H]1OC(=O)C)C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OCC([C@@H]1O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C16H22O11/c1-7(17)22-6-12(23-8(2)18)13-14(24-9(3)19)15(25-10(4)20)16(27-13)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14-,15+,16+/m0/s1
• InChIKey: JRZQXPYZEBBLPJ-XRMFNRFGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(acetyloxy)-1-[(2S,3S,4R,5S)-3,4,5-tris(acetyloxy)oxolan-2-yl]ethyl acetate
• IUPAC Traditional name: 2-(acetyloxy)-1-[(2S,3S,4R,5S)-3,4,5-tris(acetyloxy)oxolan-2-yl]ethyl acetate

Database IDs

• PubChem SID: 164251134
• PubChem CID: 16398531

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.72691214
• LogD (pH = 7.4): -0.72691214
• Log P: -0.72691214
• Molar Refractivity: 81.6809 cm^3
• Polarizability: 34.419 Å^3
• Polar Surface Area: 140.73 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds