| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| P463238-1mg |
1mg |
期货  |
|
| 英文别名 | MANDELONITRILE GLUCOSIDE D-FORM | (R)-mandelonitrile beta-D-glucoside | (2R)-(beta-D-glucosyloxy)(phenyl)acetonitrile | C00844 | (2R)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile | UNII-14W4BPM5FB | (2R)-Pruna |
|---|---|
| 规格或纯度 | ≥90%(LC/MS-ELSD) |
| 英文名称 | Prunasin |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Description Natural product derived from plant source.} |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile |
| INCHI | InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1 |
| InChi Key | ZKSZEJFBGODIJW-GMDXDWKASA-N |
| Canonical SMILES | C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O |
| Isomeric SMILES | C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| PubChem CID | 119033 |
| 分子量 | 295.29 |
| 分子量 | 295.290 g/mol |
|---|---|
| XLogP3 | -0.700 |
| 氢键供体数Hydrogen Bond Donor Count | 4 |
| 氢键受体数Hydrogen Bond Acceptor Count | 7 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 295.106 Da |
| 单同位素质量Monoisotopic Mass | 295.106 Da |
| 拓扑极表面积Topological Polar Surface Area | 123.000 Ų |
| 重原子数Heavy Atom Count | 21 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 377.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 6 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 1. C R Wulff-Strobel,D B Wilson. (1995-10-01) Cloning, sequencing, and characterization of a membrane-associated Prevotella ruminicola B(1)4 beta-glucosidase with cellodextrinase and cyanoglycosidase activities.. Journal of bacteriology, 177 ((20)): (5884-5890). [PMID:7592339] |
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