HCID67349484

4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-betaD-glucopyranosyloxy)-1H-pyrazole

[(2R,3R,4S,5R,6S)-6-[(4-benzyl-5-propan-2-yl-1H-pyrazol-3-yl)oxy]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

C39H58N2O10714.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)c1[nH]nc(O[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]2OC(=O)C(C)(C)C)c1Cc1ccccc1
InChIKey: MLDXDNPFRWFMAX-RAAUJUNPSA-N
分子式: C39H58N2O10
平均分子量: 714.9 g/mol
单同位素质量: 714.40914605

COMPUTED

结构计算性质

已同步

XLogP: 8.8
极性表面积: 152 Å²
氢键供体: 1
氢键受体: 11
可旋转键: 18
重原子: 51
形式电荷: 0
复杂度: 1,200

ALIASES

名称与别名

共 5 条

SCHEMBL2287444MLDXDNPFRWFMAX-RAAUJUNPSA-N4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyl-oxy)-1H-pyrazole4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-1H-pyrazole4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-betaD-glucopyranosyloxy)-1H-pyrazole

REACTIONS