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

• ChemBase编号: 138604
• 分子式: C32H56O13Si2
• 平均质量: 704.95024
• 单一同位素质量: 704.32594492
• SMILES: CC(=O)O[C@H]1C=CO[C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@H](C(O1)CO[Si](C)(C)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)CO[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC(=O)O[C@H]1C=CO[C@H]([C@@H]1O[C@@H]1OC(CO[Si](C(C)(C)C)(C)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C32H56O13Si2/c1-19(33)40-23-15-16-37-24(17-38-46(11,12)31(5,6)7)26(23)45-30-29(43-22(4)36)28(42-21(3)35)27(41-20(2)34)25(44-30)18-39-47(13,14)32(8,9)10/h15-16,23-30H,17-18H2,1-14H3/t23-,24-,25?,26+,27-,28-,29+,30-/m0/s1
• InChIKey: DBDFJVIRBZJNEH-POLUUMKASA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3-{[(2S,3R,4S,5S)-3,4,5-tris(acetyloxy)-6-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl acetate
• IUPAC传统名: (2S,3R,4S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}-3-{[(2S,3R,4S,5S)-3,4,5-tris(acetyloxy)-6-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl acetate
• 别名: 四-O-乙酰-6,6′-二-O-(叔丁基二甲基硅基)-D-呋喃葡烯糖-5-半乳糖苷; Tetra-O-acetyl-6,6′-di-O-(tert-butyldimethylsilyl)-D-lactal

登记号

• CAS号: 308103-46-0
• PubChem SID: 24870840; 162232857
• PubChem CID: 71310159

理论计算性质

• 质子受体: 9
• 质子供体: 0
• LogD (pH = 5.5): 3.5286
• LogD (pH = 7.4): 3.5286
• Log P: 3.5286
• 摩尔折射率: 162.4946 cm^3
• 极化性: 70.565735 Å^3
• 极化表面积: 151.35 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 比旋光度: [α]20/D -7°, c = 1.1 in chloroform

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C32H56O13Si2

详细说明

Sigma Aldrich - 472883

Application
可同时用于寡糖的液相和固相合成的重要结构单元。1
包装
100 mg in glass bottle