(5R,6S,7R,8S)-2,2,11,11-tetramethyl-5,6,7,8-tetrakis[(trimethylsilyl)oxy]-3,10-dioxa-2,11-disiladodecane

• ChemBase ID: 134289
• Molecular Formular: C24H62O6Si6
• Molecular Mass: 615.25848
• Monoisotopic Mass: 614.3161989
• SMILES: C[Si](C)(C)OC[C@H]([C@@H]([C@@H]([C@H](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
• Canonical SMILES: C[Si](O[C@H]([C@@H]([C@@H](O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)CO[Si](C)(C)C)(C)C
• InChI: InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23+,24-
• InChIKey: USBJDBWAPKNPCK-NVPYSNMXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R,6S,7R,8S)-2,2,11,11-tetramethyl-5,6,7,8-tetrakis[(trimethylsilyl)oxy]-3,10-dioxa-2,11-disiladodecane
• IUPAC Traditional name: (5R,6S,7R,8S)-2,2,11,11-tetramethyl-5,6,7,8-tetrakis[(trimethylsilyl)oxy]-3,10-dioxa-2,11-disiladodecane
• Synonyms: Trimethylsilyldulcitol

Database IDs

• CAS Number: 18919-39-6
• MDL Number: MFCD00171727
• PubChem SID: 162228566; 24900353
• PubChem CID: 13829215

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 8.8134
• LogD (pH = 7.4): 8.8134
• Log P: 8.8134
• Molar Refractivity: 135.159 cm^3
• Polarizability: 66.71582 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 17
• 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