1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione

• ChemBase编号: 178442
• 分子式: C38H39NO7
• 平均质量: 621.71876
• 单一同位素质量: 621.27265259
• SMILES: [C@@H]1([C@@H]([C@@H](C(O[C@H]1COCc1ccccc1)N1C(=O)CCC1=O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: O=C1CCC(=O)N1C1O[C@@H](COCc2ccccc2)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C38H39NO7/c40-33-21-22-34(41)39(33)38-37(45-26-31-19-11-4-12-20-31)36(44-25-30-17-9-3-10-18-30)35(43-24-29-15-7-2-8-16-29)32(46-38)27-42-23-28-13-5-1-6-14-28/h1-20,32,35-38H,21-27H2/t32-,35-,36+,37-,38?/m1/s1
• InChIKey: BWKVCDULSRPUBR-XRUYLHJWSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
• IUPAC传统名: 1-[(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pyrrolidine-2,5-dione
• 别名: 1-[2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranosyl]-2,5-pyrrolidinedione

登记号

• CAS号: 870472-23-4
• PubChem SID: 164234352
• PubChem CID: 71752483

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 6.2866406
• LogD (pH = 7.4): 6.2866406
• Log P: 6.2866406
• 摩尔折射率: 172.2954 cm^3
• 极化性: 68.162285 Å^3
• 极化表面积: 83.53 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Yellow Oil

详细说明

Toronto Research Chemicals - T296380

Used in the preparation of novel glycosylating reagents.