Inchi | 1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h8,20,22-23,25-28,30-49,52-63H,7,9-19H2,1-6H3/t20-,22-,23-,25?,26+,27-,28-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44?,45+,46?,47-,48?,49+,50-,51-/m0/s1 |
InChIKey | MDCUMTGKKLOMCW-VZFURQGKSA-N |
SMILES | O1C(C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])OC2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])=C(C([H])([H])[H])[C@@]2([H])[C@]1([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])(C([H])([C@@]([H])(C([H])([H])O[H])O1)O[C@@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H])OC1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H] |
精确分子量 | 1030.53000 |
氢键供体数量 | 12 |
氢键受体数量 | 21 |
重原子数量 | 72 |
可旋转化学键数量 | 14 |
复杂度 | 1930 |
拓扑分子极性表面积 | 326 |
颜色与性状 | Powder |
密度 | 1.45 |
PSA | 325.83000 |
LogP | -1.03040 |
海关编码 | 29389090 |
物理化学性质
密度 1.45
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性