HCID68537640

3-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyloxy)-4-[(4-iodophenyl)methyl]-5-isopropyl-1H-pyrazole

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[(4-iodophenyl)methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate

C27H33IN2O10672.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OC[C@H]1O[C@@H](Oc2n[nH]c(C(C)C)c2Cc2ccc(I)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIKey: GXFAWVQCLGLOHP-VGCAIQGHSA-N
分子式: C27H33IN2O10
平均分子量: 672.5 g/mol
单同位素质量: 672.11799

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 152 Å²
氢键供体: 1
氢键受体: 11
可旋转键: 14
重原子: 40
形式电荷: 0
复杂度: 897

ALIASES

名称与别名

共 4 条

SCHEMBL3173076GXFAWVQCLGLOHP-VGCAIQGHSA-N3-(2,3,4,6-tetra-O-acetyl-beta-D-galacto-pyranosyloxy)-4-[(4-iodophenyl)methyl]-5-isopropyl-1H-pyrazole3-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyloxy)-4-[(4-iodophenyl)methyl]-5-isopropyl-1H-pyrazole

REACTIONS

参与反应

4 条

uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07655632B2

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uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07655632B2

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uspto-grants-2008_05 · 10.6084/m9.figshare.5104873.v1 · US07375087B2

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uspto-grants-2008_05 · 10.6084/m9.figshare.5104873.v1 · US07375087B2

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