(8R,8aS)-2-phenyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl acetate

• ChemBase ID: 301675
• Molecular Formular: C15H16O5
• Molecular Mass: 276.28454
• Monoisotopic Mass: 276.09977361
• SMILES: CC(=O)O[C@@H]1C=COC2[C@H]1OC(OC2)c1ccccc1
• Canonical SMILES: CC(=O)O[C@@H]1C=COC2[C@H]1OC(OC2)c1ccccc1
• InChI: InChI=1S/C15H16O5/c1-10(16)19-12-7-8-17-13-9-18-15(20-14(12)13)11-5-3-2-4-6-11/h2-8,12-15H,9H2,1H3/t12-,13?,14+,15?/m1/s1
• InChIKey: OOUSBTQEYNLCKG-JLVJUDLZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8R,8aS)-2-phenyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl acetate
• IUPAC Traditional name: (8R,8aS)-2-phenyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl acetate
• Synonyms: 3-O-Acetyl-4,6-O-benzylidene-D-glucal

Database IDs

• CAS Number: 14125-71-4
• MDL Number: MFCD22989017

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9688646
• LogD (pH = 7.4): 1.9688646
• Log P: 1.9688646
• Molar Refractivity: 69.8142 cm^3
• Polarizability: 28.071924 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%