(3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one

• ChemBase ID: 797491
• Molecular Formular: C18H42O6Si4
• Molecular Mass: 466.86448
• Monoisotopic Mass: 466.20584519
• SMILES: O1C(=O)[C@@H]([C@H]([C@@H]([C@H]1CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: O=C1O[C@H](CO[Si](C)(C)C)[C@H]([C@@H]([C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
• InChIKey: VNGTZLYNGGLPIZ-WCXIOVBPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one
• IUPAC Traditional name: (3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one
• Synonyms: (3R,4S,5R,6R)-3,4,5-tris(triMethylsilyloxy)-6-((triMethylsilyloxy)Methyl)tetrahydro-2H-pyran-2-one

Database IDs

• CAS Number: 32384-65-9

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.5491
• LogD (pH = 7.4): 5.5491
• Log P: 5.5491
• Molar Refractivity: 99.2824 cm^3
• Polarizability: 48.49529 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%