trimethyl({[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl]oxy})silane

• ChemBase ID: 132633
• Molecular Formular: C24H60O6Si6
• Molecular Mass: 613.2426
• Monoisotopic Mass: 612.30054883
• SMILES: C[Si](O[C@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)(C)C
• Canonical SMILES: C[Si](O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[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/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3/t19-,20-,21-,22+,23-,24-
• InChIKey: FRTKXRNTVMCAKI-HPEVMFQJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl]oxy})silane
• IUPAC Traditional name: trimethyl({[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis[(trimethylsilyl)oxy]cyclohexyl]oxy})silane
• Synonyms: Trimethylsilyl-meso-inositol

Database IDs

• CAS Number: 2582-79-8
• MDL Number: MFCD00171726
• PubChem SID: 162226910; 24899936
• PubChem CID: 520232

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 8.7768
• LogD (pH = 7.4): 8.7768
• Log P: 8.7768
• Molar Refractivity: 132.5304 cm^3
• Polarizability: 65.994965 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 12
• 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: ~98%