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

• ChemBase ID: 294388
• Molecular Formular: C13H18O9
• Molecular Mass: 318.27662
• Monoisotopic Mass: 318.09508216
• SMILES: C(C1C(C(C(OC(=O)C)O1)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OCC1OC(C(C1OC(=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
• InChIKey: IHNHAHWGVLXCCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate
• IUPAC Traditional name: [3,4,5-tris(acetyloxy)oxolan-2-yl]methyl acetate
• Synonyms: Beta-D-Ribofuranose 1,2,3,5-tetraacetate

Database IDs

• CAS Number: 13035-61-5
• MDL Number: MFCD00005358
• PubChem SID: 180679919
• PubChem CID: 227274

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: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%