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

• ChemBase ID: 301312
• Molecular Formular: C30H34O5Si
• Molecular Mass: 502.67346
• Monoisotopic Mass: 502.21755072
• SMILES: [C@H]1(C=COC2[C@H]1OC(OC2)c1ccc(cc1)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: COc1ccc(cc1)C1OCC2[C@@H](O1)[C@@H](C=CO2)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H34O5Si/c1-30(2,3)36(24-11-7-5-8-12-24,25-13-9-6-10-14-25)35-26-19-20-32-27-21-33-29(34-28(26)27)22-15-17-23(31-4)18-16-22/h5-20,26-29H,21H2,1-4H3/t26-,27?,28+,29?/m1/s1
• InChIKey: GPGWYHWCOKUTGD-CHDCKAECSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22988999

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 7.0579
• LogD (pH = 7.4): 7.0579
• Log P: 7.0579
• Molar Refractivity: 136.3624 cm^3
• Polarizability: 56.28364 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%