MDL | MFCD00130792 |
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InChIKey | KXKPYJOVDUMHGS-OSRGNVMNSA-N |
Inchi | 1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1 |
SMILES | S(=O)(=O)(O[H])O[C@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(O[H])O1)N([H])C(C([H])([H])[H])=O)O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O1)O[H])O[H])O[H])O[H] |
水溶性 | Insoluble in water. |
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溶解度 | H2O: 0.1 g/mL, slightly hazy, faintly yellow |
氢键供体数量 | 8 |
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氢键受体数量 | 15 |
可旋转化学键数量 | 6 |
重原子数量 | 30 |
复杂度 | 739 |
拓扑分子极性表面积 | 267 |
WGK Germany | 3 |
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FLUKA BRAND F CODES | 3-10 |
EINECS | 232-696-9 |
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