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

• ChemBase ID: 165963
• Molecular Formular: C14H20O9
• Molecular Mass: 332.3032
• Monoisotopic Mass: 332.11073222
• SMILES: [C@@H]1([C@@H](CC(O[C@H]1COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OC[C@@H]1OC(OC(=O)C)C[C@H]([C@@H]1OC(=O)C)OC(=O)C
• InChI: InChI=1S/C14H20O9/c1-7(15)19-6-12-14(22-10(4)18)11(20-8(2)16)5-13(23-12)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13?,14+/m1/s1
• InChIKey: KLEORKVJPIJWNG-VMXNZORSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3S,4R)-3,4,6-tris(acetyloxy)oxan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3S,4R)-3,4,6-tris(acetyloxy)oxan-2-yl]methyl acetate
• Synonyms: 2-Deoxy-D-arabino-hexopyranose 1,3,4,6-Tetraacetate; 1,3,4,6-Tetra-O-acetyl-2-deoxy-D-glucopyranose; 2-Deoxy-1,3,4,6-tetra-O-acetyl-D-glucopyranose; 2-Deoxy-D-glucose Tetraacetate

Database IDs

• CAS Number: 69515-91-9
• PubChem SID: 162260096
• PubChem CID: 10903691

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.26739952
• LogD (pH = 7.4): -0.26739952
• Log P: -0.26739952
• Molar Refractivity: 71.0187 cm^3
• Polarizability: 29.858467 Å^3
• Polar Surface Area: 114.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: White Solid
• Melting Point: 88-90°C

Safety Information

• Storage Condition: -20°C Freezer