| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| O356666-1mg |
1mg |
期货  |
|
| 英文别名 | (9Z)-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-~2~H_17_)Octadec-9-enoic acid | (9Z)-(11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-?H??)octadec-9-enoic acid | (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9 |
|---|---|
| 规格或纯度 | ≥99% deuterated forms(d1-d17), 5mg/mL in methyl acetate |
| 英文名称 | Oleic Acid-d17 |
| 储存温度 | -20°C储存,充氩 |
| 运输条件 | 超低温冰袋运输 |
| IUPAC Name | (Z)-11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptadecadeuteriooctadec-9-enoic acid |
|---|---|
| INCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2 |
| InChi Key | ZQPPMHVWECSIRJ-DUGYPAGXSA-N |
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)O |
| Isomeric SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\CCCCCCCC(=O)O |
| PubChem CID | 21627504 |
| UN Number | 1231 |
| Packing Group | II |
| 分子量 | 299.57 |
| 沸点 | 56.9° C |
|---|---|
| 分子量 | 299.600 g/mol |
| XLogP3 | 6.500 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 2 |
| 可旋转键计数Rotatable Bond Count | 15 |
| 精确质量Exact Mass | 299.363 Da |
| 单同位素质量Monoisotopic Mass | 299.363 Da |
| 拓扑极表面积Topological Polar Surface Area | 37.300 Ų |
| 重原子数Heavy Atom Count | 20 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 234.000 |
| 同位素原子数Isotope Atom Count | 17 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| 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 | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| Class | 3 |
|---|
| Isotopic purity(deuterated forms d1-d17) | |
|---|---|
| LC-MS for identification | Conforms |
| NMR Spectrum 1H | Conforms to Structure |
| concentration in methyl acetate |
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