2,3,3',5,5',6-六氯联苯 | 74808-10-9
2,3,3',5,5',6-六氯联苯
2,3,4,6-Tetra-O-acetyl-a-D-glucopyranosyl Trichloroacetimidate
74808-10-9
C16H20NO10Cl3
492.6897
名称和标识符
MDL |
MFCD09870030 |
InChIKey |
IBUZGVQIKARDAF-RKQHYHRCSA-N |
Inchi |
InChI=1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1 |
SMILES |
CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C |
别名信息
- 中文别名 -
- 2,3,4,6-四邻乙酰基-alpha-d-吡喃葡萄糖三氯乙酰胺
- 2,3,3',5,5',6-六氯联苯
- 英文别名 -
- 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl Trichloroacetimidate
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
- 2,3,4,6-Tetra-O-acet
- 2,3,4,6-TETRA-O-ACETYL-A-D-GLUCOPYRANOSYL TRICHLOROACETIMIDIATE
- 2,3,4,6-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL TRICHLOROACETIMIDATE
- a-D-Glucopyranose,2,3,4,6-tetraacetate 1-(2,2,2-trichloroethanimidate)
- 2,3,3',5,5',6-HEXACHLOROBIPHENYL
- 2,3,4,6-Tetra-O-acetyl-a-D-glucopyranosyltrichloroacetimidate
- AKOS027326500
- SCHEMBL417827
- IBUZGVQIKARDAF-RKQHYHRCSA-N
- (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
- 2,3,4,6-tetra-O-acetyl-1-O-trichloroacetoimidoyl-alpha-D-glucopyranose
- GEO-04520
- 2,3,4,6-Tetra-O-acetyl-?-D-glucopyranosyl Trichloroacetimidate
- 2,3,4,6-tetra-O-acetyl-1-O-trichloroaceto-imidoyl-alpha-D-glucopyranose
- 74808-10-9
- alpha-D-Glucopyranose 2,3,4,6-Tetraacetate 1-(2,2,2-Trichloroethanimidate)
- Tetra-O-acetyl--D-glucose trichloroacetimidate
- 2,3,4,6-Tetra-O-acetyl--D-glucopyranosyl TrichloroacetiMidate
- 2,3,4,6-tetra-O-acetyl-1-O-(2,2,2-trichloroethanimidoyl)-alpha-D-glucopyranose
- 2,3,4,6-Tetra-O-acetyl- alpha -D-glucopyranosyl Trichloroacetimidate
- 2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl Trichloroacetimidate
- 2,3,4,6-tetra-o-acetyl-a-d-glucopyranosyl trichloroacetimidate
- DTXSID60447497
物化性质
实验特性
LogP |
1.53330 |
PSA |
147.51000 |
计算特性
精确分子量 |
491.01500 |
氢键供体数量 |
1 |
氢键受体数量 |
11 |
可旋转化学键数量 |
11 |
同位素质量 |
491.015279g/mol |
重原子数量 |
30 |
复杂度 |
695 |
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) |
2.6 |
拓扑分子极性表面积 |
148Ų |