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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[2-(butylthio)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- | 6192-29-6
- Butylthiomethylpenicillin
- (2S,5R,6R)-6-[(2-butylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[2-(butylthio)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Computed Properties
- 精确分子量: 346.10226
- 氢键供体数量: 2
- 氢键受体数量: 6
- 可旋转化学键数量: 7
- 同位素质量: 346.102
- 重原子数量: 22
- 复杂度: 484
- 同位素原子数量: 0
- 确定原子立构中心数量: 3
- 不确定原子立构中心数量: 0
- 确定化学键立构中心数量: 0
- 不确定化学键立构中心数量: 0
- 共价键单元数量: 1
- 疏水参数计算参考值（XlogP）: 2.4
- 拓扑分子极性表面积: 137A^2
Experimental Properties
- PSA: 86.71
- 折射率: 1.6510 (estimate)
- 沸点: 624.3°C at 760 mmHg
- 闪点: 331.4°C
- 密度: 1.2869 (rough estimate)
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6-Aminopenicillanic acid CAS No.: 551-16-6 -
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[[2-(2-propenylthio)acetyl]amino]-, (2S,5R,6R)- CAS No.: 87-09-2
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[(1-oxooctyl)amino]-, (2S,5R,6R)- CAS No.: 525-97-3
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3-ethyl-3-methyl-7-oxo-, (2S,3S,5R)- CAS No.: 422270-18-6
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)- CAS No.: 64527-04-4
