(2R,3R,4S,5S)-2,4,5-tris(acetyloxy)oxan-3-yl acetate

• ChemBase ID: 180929
• Molecular Formular: C13H18O9
• Molecular Mass: 318.27662
• Monoisotopic Mass: 318.09508216
• SMILES: [C@H]1([C@H]([C@@H](OC(=O)C)CO[C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[C@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11-,12+,13+/m0/s1
• InChIKey: MJOQJPYNENPSSS-WUHRBBMRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S)-2,4,5-tris(acetyloxy)oxan-3-yl acetate
• IUPAC Traditional name: (2R,3R,4S,5S)-2,4,5-tris(acetyloxy)oxan-3-yl acetate

Database IDs

• PubChem SID: 164236839
• PubChem CID: 45490388

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5377026
• LogD (pH = 7.4): -0.5377026
• Log P: -0.5377026
• Molar Refractivity: 66.5669 cm^3
• Polarizability: 28.05088 Å^3
• Polar Surface Area: 114.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds