tert-butyl({[(2R,3R,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl]oxy})dimethylsilane

• ChemBase ID: 145632
• Molecular Formular: C24H52O4Si3
• Molecular Mass: 488.92378
• Monoisotopic Mass: 488.31733974
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H](C=CO1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC([Si](O[C@@H]1[C@H](OC=C[C@H]1O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C24H52O4Si3/c1-22(2,3)29(10,11)26-18-20-21(28-31(14,15)24(7,8)9)19(16-17-25-20)27-30(12,13)23(4,5)6/h16-17,19-21H,18H2,1-15H3/t19-,20-,21+/m1/s1
• InChIKey: FMXIGEXRLSNRMR-NJYVYQBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl({[(2R,3R,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl]oxy})dimethylsilane
• IUPAC Traditional name: tert-butyl({[(2R,3R,4R)-4-[(tert-butyldimethylsilyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl]oxy})dimethylsilane
• Synonyms: Tri-O-(tert-butyldimethylsilyl)-D-glucal; 3,4,6-Tri-O-tert-butyldimethylsilyl-D-glucal; 三-O-(叔丁基二甲基甲硅烷基)-D-葡萄烯糖

Database IDs

• CAS Number: 79999-47-6
• MDL Number: MFCD00171721
• PubChem SID: 162239837; 24865355
• PubChem CID: 10648718

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.7924
• LogD (pH = 7.4): 6.7924
• Log P: 6.7924
• Molar Refractivity: 123.3234 cm^3
• Polarizability: 55.527176 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 210 °C/1.2 mmHg(lit.); 210°C/1.2mm
• Flash Point: >113 °C; >113°C(235°F); >235.4 °F
• Density: 0.928; 0.928 g/mL at 25 °C(lit.)
• Refractive Index: 1.4560; n20/D 1.456(lit.)
• Optical Rotation: [α]24/D -30°, c = 1 in chloroform; -30 (c=1 in chloroform)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C24H52O4Si3

DETAILS

Sigma Aldrich - 406090

Packaging
5 g in glass bottle