基本信息
经验(实验)分子式 | C44H53FN7O8P |
分子量 | 857.91 |
MDL编号 | MFCD12912415 |
NACRES | NA.21 |
产品性质
质量水平 | 200 |
生物来源 | non-animal source (no BSE/TSE risk) |
产品线 | Proligo Reagents |
测定 | ≥99% (31P-NMR) ≥99.0% (redox titration) conforms (1H-NMR) conforms (LC/MS) |
形式 | powder |
杂质 | ≤0.3% water content (Karl Fischer) ≤0.5% P(III) Impurities 100-169ppm (31P-NMR) ≤0.5% single Impurity (redox titration) ≤3% residual Solvent content |
颜色 | white to off-white |
相容性 | configured for MerMade |
储存温度 | −20℃ |
SMILES string | COc1ccc(cc1)C(OC[C@H]2O[C@H]([C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)n3cnc4C(=O)NC(NC(=O)C(C)C)=Nc34)(c5ccccc5)c6ccc(OC)cc6 |
InChI | 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-24-12-23-46)52(28(3)4)29(5)6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12,24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1 |
InChI key | KJFUMXZZVYMQEU-AOCJBPQJSA-N |
安全信息
储存分类代码 | 13 - Non Combustible Solids |
WGK | WGK 3 |
闪点(F) | Not applicable |
闪点(C) | Not applicable |
Sigma-Aldrich