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

• ChemBase ID: 294985
• Molecular Formular: C25H32O4Si
• Molecular Mass: 424.60468
• Monoisotopic Mass: 424.20698604
• SMILES: [C@H]1(C=CO[C@H]2[C@H]1OC(OC2)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C=CO[C@H]2[C@H]1OC(C)(C)OC2)(C)C
• InChI: InChI=1S/C25H32O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-21-16-17-26-22-18-27-25(4,5)28-23(21)22/h6-17,21-23H,18H2,1-5H3/t21-,22-,23+/m1/s1
• InChIKey: LNJNLLJTWRZBMQ-ZLNRFVROSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22989004
• PubChem SID: 180680516
• PubChem CID: 73994967

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.1983
• LogD (pH = 7.4): 6.1983
• Log P: 6.1983
• Molar Refractivity: 115.2226 cm^3
• Polarizability: 47.86302 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%