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

• ChemBase ID: 133616
• Molecular Formular: C36H86O11Si8
• Molecular Mass: 919.74544
• Monoisotopic Mass: 918.43242583
• SMILES: C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)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]1[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@H]([C@@H]([C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)(C)C
• InChI: InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-29(42-50(7,8)9)31(44-52(13,14)15)33(46-54(19,20)21)35(39-27)41-36-34(47-55(22,23)24)32(45-53(16,17)18)30(43-51(10,11)12)28(40-36)26-38-49(4,5)6/h27-36H,25-26H2,1-24H3/t27-,28-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
• InChIKey: YQFZNYCPHIXROS-XPMTUQOHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({[(2R,3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(2R,3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}oxan-2-yl]methoxy})silane
• IUPAC Traditional name: trimethyl({[(2R,3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(2R,3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy}oxan-2-yl]methoxy})silane
• Synonyms: Trimethylsilyl-D-(+)-trehalose

Database IDs

• CAS Number: 42390-78-3
• MDL Number: MFCD00171724
• PubChem SID: 162227893; 24900273
• PubChem CID: 10898287

CALCULATED PROPERTIES

• H Acceptors: 11
• H Donor: 0
• LogD (pH = 5.5): 11.7054
• LogD (pH = 7.4): 11.7054
• Log P: 11.7054
• Molar Refractivity: 197.3439 cm^3
• Polarizability: 96.77158 Å^3
• Polar Surface Area: 101.53 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ~99%