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

• ChemBase ID: 176328
• Molecular Formular: C21H52O6Si5
• Molecular Mass: 541.06148
• Monoisotopic Mass: 540.26102204
• SMILES: [C@@H]1([C@@H]([C@@H](C(O[C@H]1CO[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](OC1O[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-AUGMSIGLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({[(2R,3R,4S,5S)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane
• IUPAC Traditional name: trimethyl({[(2R,3R,4S,5S)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane
• Synonyms: 1,2,3,4,6-Pentakis-O-(trimethylsilyl)-D-mannopyranose; 1,2,3,4,6-Penta-O-trimethylsilyl-D-mannopyranoside

Database IDs

• CAS Number: 55529-69-6
• PubChem SID: 164232238
• PubChem CID: 22211662

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

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid