{[(8R,8aR)-2-phenyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}(tert-butyl)dimethylsilane

• ChemBase ID: 301603
• Molecular Formular: C19H28O4Si
• Molecular Mass: 348.50872
• Monoisotopic Mass: 348.17568591
• SMILES: [C@H]1(C=COC2[C@H]1OC(OC2)c1ccccc1)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(O[C@@H]1C=COC2[C@H]1OC(OC2)c1ccccc1)C
• InChI: InChI=1S/C19H28O4Si/c1-19(2,3)24(4,5)23-15-11-12-20-16-13-21-18(22-17(15)16)14-9-7-6-8-10-14/h6-12,15-18H,13H2,1-5H3/t15-,16?,17+,18?/m1/s1
• InChIKey: DCVWUHGNXVBXKD-ZLZJIPBDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(8R,8aR)-2-phenyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}(tert-butyl)dimethylsilane
• IUPAC Traditional name: {[(8R,8aR)-2-phenyl-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}(tert-butyl)dimethylsilane
• Synonyms: 3-O-tert-Butyldimethylsilyl-4,6-O-benzylidene-D-glucal

Database IDs

• CAS Number: 120120-65-2
• MDL Number: MFCD22989011

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1584
• LogD (pH = 7.4): 4.1584
• Log P: 4.1584
• Molar Refractivity: 90.5108 cm^3
• Polarizability: 38.262787 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%