(2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol

• ChemBase编号: 135455
• 分子式: C38H46O4Si2
• 平均质量: 622.94044
• 单一同位素质量: 622.29346302
• SMILES: CC(C)(C)[Si](c1ccccc1)(c1ccccc1)OC[C@@H]1[C@H]([C@@H](C=CO1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O
• Canonical SMILES: O[C@@H]1[C@H](OC=C[C@H]1O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C38H46O4Si2/c1-37(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-29-35-36(39)34(27-28-40-35)42-44(38(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-28,34-36,39H,29H2,1-6H3/t34-,35-,36+/m1/s1
• InChIKey: CWKMLPNAHWLONH-LBYVEUBFSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
• IUPAC传统名: (2R,3R,4R)-4-[(tert-butyldiphenylsilyl)oxy]-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
• 别名: 3,6-二-O-(叔丁基二苯基甲硅烷基)-D-葡萄烯糖; 3,6-二-O-(叔丁基二苯基甲硅烷基)-D-半乳醛; 3,6-Di-O-(tert-butyldiphenylsilyl)-D-glucal; 3,6-Di-O-(tert-butyldiphenylsilyl)-D-galactal; 3,6-Di-O-tert-butyldiphenylsilyl-D-glucal

登记号

• CAS号: 344303-60-2; 308103-43-7
• MDL号: MFCD01863628
• PubChem SID: 162229729; 24870828; 24873163
• PubChem CID: 16213141

理论计算性质

• Acid pKa: 13.093117
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 10.2333
• LogD (pH = 7.4): 10.233299
• Log P: 10.2333
• 摩尔折射率: 172.2521 cm^3
• 极化性: 72.519295 Å^3
• 极化表面积: 47.92 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: >113°C(235°F); 113 °C; 140 °F; 235 °F; 60 °C
• 折射率: n20/D 1.559(lit.)
• 比旋光度: [α]22/D -10°, c = 1 in chloroform; [α]25/D +6°, c = 1 in chloroform; +6 (c=1 in chloroform)

安全信息

• 联合国危险货物编号: 1993
• 德国WGK号: 1; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3
• TSCA收录: 否
• RID/ADR: UN 1993 3/PG 3

产品相关信息

• 纯度: 95%; 97%
• 其他组分: ~5 wt. % ethyl acetate, added to induce mobility of syrup
• Empirical Formula (Hill Notation): C38H46O4Si2

详细说明

Sigma Aldrich - 472808

Application
可用于寡糖的液相和固相合成的重要结构单元。1