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

• ChemBase ID: 293079
• Molecular Formular: C13H18O9
• Molecular Mass: 318.27662
• Monoisotopic Mass: 318.09508216
• SMILES: O=C(OC[C@@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(OC(=O)C)O1)C
• Canonical SMILES: CC(=O)OC[C@H]1OC([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13?/m1/s1
• InChIKey: IHNHAHWGVLXCCI-PFGBXZAXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R,4R)-3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3R,4R)-3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate
• Synonyms: (3R,4R,5R)-5-(Acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetate

Database IDs

• CAS Number: 28708-32-9
• MDL Number: MFCD03788309
• PubChem SID: 180678610
• PubChem CID: 9797055

CALCULATED PROPERTIES

• Log P: -0.5377026
• Molar Refractivity: 66.5669 cm^3
• Polarizability: 28.05088 Å^3
• Polar Surface Area: 114.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5377026
• LogD (pH = 7.4): -0.5377026

PROPERTIES

Product Information

• Purity: 95+%