苄基 2-乙酸胺基-2-脱氧-3,4,6-三-O-乙酰基-Β-D-吡喃葡糖苷 | 13343-66-3
苄基 2-乙酸胺基-2-脱氧-3,4,6-三-O-乙酰基-Β-D-吡喃葡糖苷
Benzyl 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
13343-66-3
C21H27NO9
437.44038
名称和标识符
InChIKey |
IDEBBPWXWFHKBU-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H27NO9/c1-12(23)22-18-20(30-15(4)26)19(29-14(3)25)17(11-27-13(2)24)31-21(18)28-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3,(H,22,23) |
SMILES |
C(OC1C(OC(=O)C)C(NC(=O)C)C(OCC2C=CC=CC=2)OC1COC(=O)C)(=O)C |
别名信息
- 中文别名 -
- 2-(乙酰氨基)-2-脱氧-β-D-吡喃葡萄糖苷-3,4,6-三乙酸苯基甲酯
- 苄基 2-乙酸胺基-2-脱氧-3,4,6-三-O-乙酰基-Β-D-吡喃葡糖苷
- 苄基2-乙酰胺基-2-脱氧-3,4,6-三-O-乙酰基-Β-D-吡喃葡萄糖苷
- 英文别名 -
- (2R,3S,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-(benzyloxy)tetrahydro-2H-pyran-3,4-diyl diacetate
- [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate
- β-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
- 7308P
- Benzyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
- BENZYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-SS-D-GLUCOPYRANOSIDE
- BENZYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
- BENZYL 2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
- b-D-Glucopyranoside, phenylMethyl2-(acetylaMino)-2-deoxy-, 3,4,6-triacetate
- Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-a-D-glucopyranoside
- DTXSID60451099
- b-D-Glucopyranoside,phenylmethyl2-(acetylamino)-2-deoxy-,3,4,6-triacetate
- Benzyl2-acetamido-2-deoxy-3,4,6-tri-o-acetyl-beta-D-glucopyranoside
- Benzyl 2-acetamido-2-deoxy-3,4,6-tri-o-acetyl-betA1-D-glucopyranoside
- W-201100
- Benzyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside
- Benzyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
- SCHEMBL8931470
- IDEBBPWXWFHKBU-PFAUGDHASA-N
- Benzyl 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-?-D-glucopyranoside
- 13343-66-3
- AKOS022180727
物化性质
实验特性
LogP |
1.25020 |
PSA |
126.46000 |
计算特性
精确分子量 |
437.16900 |
氢键供体数量 |
1 |
氢键受体数量 |
9 |
可旋转化学键数量 |
11 |
同位素质量 |
437.16858144g/mol |
重原子数量 |
31 |
复杂度 |
647 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
5 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
0.6 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
127Ų |
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