(3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-(ethylsulfanyl)-6-methyloxane

• ChemBase编号: 168778
• 分子式: C29H34O4S
• 平均质量: 478.64286
• 单一同位素质量: 478.21778057
• SMILES: [C@@H]1([C@H]([C@@H]([C@@H](C(O1)SCC)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)C
• Canonical SMILES: CCSC1O[C@@H](C)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29?/m0/s1
• InChIKey: RZVKVTBAQRMTEH-JAGXECETSA-N

名称和登记号

名称

• IUPAC标准名: (3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-(ethylsulfanyl)-6-methyloxane
• IUPAC传统名: (3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-(ethylsulfanyl)-6-methyloxane
• 别名: Ethyl 6-Deoxy-2,3,4-tris-O-(phenylmethyl)-1-thio-L-galactopyranoside; Ethyl 2,3,4-Tri-O-benzyl-1-thio-α,β-L-fucopyranoside

登记号

• CAS号: 169532-17-6
• PubChem SID: 162262910
• PubChem CID: 11081316

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.8243175
• LogD (pH = 7.4): 6.8243175
• Log P: 6.8243175
• 摩尔折射率: 138.1403 cm^3
• 极化性: 54.891373 Å^3
• 极化表面积: 36.92 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

• 溶解度: Chloroform; Ethyl Acetate; Methanol

详细说明

Toronto Research Chemicals - E927500

A useful reagent for the synthesis of oligosaccharides containing L-fucose.

参考文献

• Peter, T., et al.: Liebigs Ann. Chem., 237 (1991)
• Thoma, G., et al.: Bioorg. Med. Chem. Lett., 11, 923 (1991)