基本信息
经验(实验)分子式 | C39H46FN4O8P |
分子量 | 748.78 |
MDL编号 | MFCD11113919 |
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)N3C=CC(=O)NC3=O)(c4ccccc4)c5ccc(OC)cc5 |
InChI | 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t33-,35-,36-,37-,53?/m1/s1 |
InChI key | HQHQPAYRJJMYQX-DJTPZYMWSA-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