HCID66980348

(2S,3R,4R,5S,6R)-2-(Acetoxymethyl)-6-(((Z)-3-ethoxy-3-oxo-1-(3 (trifluoromethyl)phenyl)prop-1-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

ethyl (Z)-2-[(2R,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

C26H29F3O12590.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)/C(=C/c1cccc(C(F)(F)F)c1)O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: WTEVTRBUCCHFEQ-VWLJQKNYSA-N
分子式: C26H29F3O12
平均分子量: 590.5 g/mol
单同位素质量: 590.16111084

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 150 Å²
氢键供体: 0
氢键受体: 15
可旋转键: 15
重原子: 41
形式电荷: 0
复杂度: 995

ALIASES

名称与别名

共 3 条

(2S,3R,4R,5S,6R)-2-(Acetoxymethyl)-6-(((Z)-3-ethoxy-3-oxo-1-(3 (trifluoromethyl)phenyl)prop-1-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetateSCHEMBL1290307(2S,3R,4R,5S,6R)-2-(Acetoxymethyl)-6-(((Z)-3-ethoxy-3-oxo-1-(3(trifluoromethyl)phenyl)prop-1-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

REACTIONS

参与反应

1 条

uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09221860B2

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