2,3,4,5-tetrakis[(trimethylsilyl)oxy]pentanal

• ChemBase ID: 132001
• Molecular Formular: C17H42O5Si4
• Molecular Mass: 438.85438
• Monoisotopic Mass: 438.21093057
• SMILES: C[Si](C)(C)OCC(C(C(C=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: O=CC(C(C(O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3
• InChIKey: DWTGGLMCGFIELV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5-tetrakis[(trimethylsilyl)oxy]pentanal
• IUPAC Traditional name: 2,3,4,5-tetrakis[(trimethylsilyl)oxy]pentanal
• Synonyms: Trimethylsilyl-D-(+)-xylose; Trimethylsilyl-L-(+)-arabinose; TMS-阿拉伯糖; 三甲基硅基-L-(+)-阿拉伯糖

Database IDs

• CAS Number: 18623-22-8; 18623-26-2
• MDL Number: MFCD00070276
• PubChem SID: 162226278
• PubChem CID: 529416

CALCULATED PROPERTIES

• Acid pKa: 12.948203
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.2128
• LogD (pH = 7.4): 5.2127986
• Log P: 5.2128
• Molar Refractivity: 95.8867 cm^3
• Polarizability: 46.655685 Å^3
• Polar Surface Area: 53.99 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