12'-hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione phosphate (1:1)结构式
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常用名 | 12'-hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione phosphate (1:1) | 英文名 | 12'-hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione phosphate (1:1) |
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| CAS号 | 55852-83-0 | 分子量 | 656.64300 | |
| 密度 | N/A | 沸点 | 1011.1ºC at 760 mmHg | |
| 分子式 | C31H39N5O9P | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 565.3ºC |
| 英文名 | einecs 259-861-8 |
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| 沸点 | 1011.1ºC at 760 mmHg |
|---|---|
| 分子式 | C31H39N5O9P |
| 分子量 | 656.64300 |
| 闪点 | 565.3ºC |
| 精确质量 | 656.24900 |
| PSA | 217.76000 |
| LogP | 2.51450 |
| InChIKey | YVCZHSXMHRDXIC-CWNVUFIVSA-N |
| SMILES | CC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12.O=P(O)(O)O |