[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate

• ChemBase ID: 174324
• Molecular Formular: C15H22O10
• Molecular Mass: 362.32918
• Monoisotopic Mass: 362.1212969
• SMILES: [C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1COC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CO[C@H]1O[C@@H](COC(=O)C)[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15+/m1/s1
• InChIKey: UYWUMFGDPBMNCA-QMIVOQANSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate
• Synonyms: Methyl α-D-Glucopyranoside Tetraacetate; NSC 20732; Methyl 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranoside

Database IDs

• CAS Number: 604-70-6
• PubChem SID: 164230234
• PubChem CID: 95144

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.52491105
• LogD (pH = 7.4): -0.52491105
• Log P: -0.52491105
• Molar Refractivity: 77.2806 cm^3
• Polarizability: 32.43612 Å^3
• Polar Surface Area: 123.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Hexane
• Apperance: White to Off-White Solid
• Melting Point: 93-98°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Moisture Sensitive