(8R,8aS)-8-(benzyloxy)-2,2-dimethyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxine

• ChemBase ID: 301747
• Molecular Formular: C16H20O4
• Molecular Mass: 276.3276
• Monoisotopic Mass: 276.13615912
• SMILES: [C@H]1(C=COC2[C@H]1OC(OC2)(C)C)OCc1ccccc1
• Canonical SMILES: CC1(C)OCC2[C@@H](O1)[C@H](OCc1ccccc1)C=CO2
• InChI: InChI=1S/C16H20O4/c1-16(2)19-11-14-15(20-16)13(8-9-17-14)18-10-12-6-4-3-5-7-12/h3-9,13-15H,10-11H2,1-2H3/t13-,14?,15+/m1/s1
• InChIKey: PYGUIKGXJRRUCG-LOWNFYCTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8R,8aS)-8-(benzyloxy)-2,2-dimethyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxine
• IUPAC Traditional name: (8R,8aS)-8-(benzyloxy)-2,2-dimethyl-4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxine
• Synonyms: 3-O-Benzyl-4,6-O-isopropylidene-D-glucal

Database IDs

• CAS Number: 58871-07-1
• MDL Number: MFCD22989021

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4326842
• LogD (pH = 7.4): 2.4326842
• Log P: 2.4326842
• Molar Refractivity: 75.3499 cm^3
• Polarizability: 29.812372 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%