[(2R,3R,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate

• ChemBase ID: 169539
• Molecular Formular: C12H16O7
• Molecular Mass: 272.25124
• Monoisotopic Mass: 272.08960285
• SMILES: [C@H]1([C@@H](C=CO[C@H]1COC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OC[C@@H]1OC=C[C@H]([C@H]1OC(=O)C)OC(=O)C
• InChI: InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1
• InChIKey: LLPWGHLVUPBSLP-IJLUTSLNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,3R,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
• IUPAC Traditional name: [(2R,3R,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
• Synonyms: 2,6-Anhydro-5-deoxy-D-arabino-hex-5-enitol 1,3,4-Triacetate; 1,2-Dideoxy-D-lyxo-hex-1-enopyranose Triacetate; Galactal Triacetate; 3,4,6-Tri-O-acetyl-D-galactal; D-Galactal Triacetate; Tri-O-acetyl-D-galactal; Triacetyl-D-galactal; Triacetylgalactal; D-Galactal Triacetate (syrup)

Database IDs

• CAS Number: 4098-06-0
• PubChem SID: 162263671
• PubChem CID: 640125

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.31396386
• LogD (pH = 7.4): -0.31396386
• Log P: -0.31396386
• Molar Refractivity: 61.2336 cm^3
• Polarizability: 25.050026 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator