trimethyl({[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane

• ChemBase ID: 131458
• Molecular Formular: C21H52O6Si5
• Molecular Mass: 541.06148
• Monoisotopic Mass: 540.26102204
• SMILES: C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[C@H]1O[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)(C)C
• InChI: InChI=1S/C21H52O6Si5/c1-28(2,3)22-16-17-18(24-29(4,5)6)19(25-30(7,8)9)20(26-31(10,11)12)21(23-17)27-32(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21-/m1/s1
• InChIKey: PPFHNIVPOLWPCF-YMQHIKHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane
• IUPAC Traditional name: trimethyl({[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane
• Synonyms: TMS-α-D-(+)-Glucose; Trimethylsilyl-α-D-(+)-glucose

Database IDs

• CAS Number: 3327-61-5
• MDL Number: MFCD00070519
• PubChem SID: 162225736; 24899870
• PubChem CID: 11038830

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 7.4162
• LogD (pH = 7.4): 7.4162
• Log P: 7.4162
• Molar Refractivity: 116.5529 cm^3
• Polarizability: 57.548737 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: clear, colorless liquid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 90-95%