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

• ChemBase ID: 301269
• Molecular Formular: C29H32O4Si
• Molecular Mass: 472.64748
• Monoisotopic Mass: 472.20698604
• SMILES: [C@H]1(C=COC2[C@H]1OC(OC2)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C=COC2[C@H]1OC(OC2)c1ccccc1)(C)C
• InChI: InChI=1S/C29H32O4Si/c1-29(2,3)34(23-15-9-5-10-16-23,24-17-11-6-12-18-24)33-25-19-20-30-26-21-31-28(32-27(25)26)22-13-7-4-8-14-22/h4-20,25-28H,21H2,1-3H3/t25-,26?,27+,28?/m1/s1
• InChIKey: SFTSXHOVWHRHNN-PXIZKRJNSA-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)diphenylsilane
• IUPAC Traditional name: {[(8R,8aR)-2-phenyl-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-benzylidene-D-glucal

Database IDs

• MDL Number: MFCD22988995

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.3106
• LogD (pH = 7.4): 7.3106
• Log P: 7.3106
• Molar Refractivity: 129.8992 cm^3
• Polarizability: 53.776554 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%