Inchi | 1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31?,32-,33?,34?,35-/m0/s1 |
InChIKey | BJFIDCADFRDPIO-KKSWSVFASA-N |
SMILES | S1C([H])([H])C([H])(C(N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(N([H])[C@]([H])(C(N([H])C([H])([H])C(N([H])[H])=O)=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])=O)=O)N([H])C(C([H])(C([H])([H])C(N([H])[H])=O)N([H])C([C@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)N([H])C([C@]([H])(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])N([H])C(C([H])(C([H])([H])C2C([H])=C([H])C(=C([H])C=2[H])O[H])N([H])C([C@]([H])(C([H])([H])S1)N([H])[H])=O)=O)=O)=O)=O |
精确分子量 | 1055.43000 |
氢键供体数量 | 13 |
氢键受体数量 | 16 |
重原子数量 | 73 |
可旋转化学键数量 | 19 |
复杂度 | 1960 |
拓扑分子极性表面积 | 476 |
颜色与性状 | 白色粉末 |
密度 | 1.31 g/cm3 |
沸点 | 1610.4°C at 760 mmHg |
闪点 | 927.7°C |
折射率 | 1.58 |
PSA | 476.15000 |
LogP | 1.53610 |
蒸气压 | 0mmHg at 25°C |
EINECS | 200-050-5 |
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