(2R,3R,4R)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3-{[(3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-{[(tert-butyldiphenylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl acetate

• ChemBase编号: 138685
• 分子式: C52H64O13Si2
• 平均质量: 953.22776
• 单一同位素质量: 952.38854517
• SMILES: CC(=O)O[C@@H]1C=CO[C@@H]([C@@H]1OC1[C@@H]([C@H]([C@H]([C@H](O1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CC([Si](c1ccccc1)(c1ccccc1)OC[C@H]1OC=C[C@H]([C@H]1OC1O[C@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C
• InChI: InChI=1S/C52H64O13Si2/c1-35(53)60-43-31-32-57-44(33-58-66(51(5,6)7,39-23-15-11-16-24-39)40-25-17-12-18-26-40)46(43)65-50-49(63-38(4)56)48(62-37(3)55)47(61-36(2)54)45(64-50)34-59-67(52(8,9)10,41-27-19-13-20-28-41)42-29-21-14-22-30-42/h11-32,43-50H,33-34H2,1-10H3/t43-,44-,45-,46-,47+,48+,49-,50?/m1/s1
• InChIKey: RNGIQPVDHUSLDB-XJJBAVGBSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3-{[(3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-{[(tert-butyldiphenylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl acetate
• IUPAC传统名: (2R,3R,4R)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3-{[(3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-{[(tert-butyldiphenylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl acetate
• 别名: 四-O-乙酰-6,6′-二-O-(叔丁基二苯基硅基)-D-呋喃葡烯糖-5-半乳糖苷; Tetra-O-acetyl-6,6′-di-O-(tert-butyldiphenylsilyl)-D-lactal

登记号

• CAS号: 308103-45-9
• MDL号: MFCD01321287
• PubChem SID: 24870837; 162232936
• PubChem CID: 16213145

理论计算性质

• 质子受体: 9
• 质子供体: 0
• LogD (pH = 5.5): 9.833
• LogD (pH = 7.4): 9.833
• Log P: 9.833
• 摩尔折射率: 241.2714 cm^3
• 极化性: 101.38894 Å^3
• 极化表面积: 151.35 Å^2
• 可自由旋转的化学键: 22
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 67-70 °C(lit.)
• 比旋光度: [α]20/D -20°, c = 1 in chloroform

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C52H64O13Si2

详细说明

Sigma Aldrich - 472875

Application
可同时用于寡糖的液相和固相合成的重要结构单元。1