HCID86746808

17-Ethyl-1-hydroxy-12-[2'-(4"-azido-3"-hydroxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone

12-[1-(4-azido-3-hydroxycyclohexyl)prop-1-en-2-yl]-17-ethyl-1-hydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

C42H66N4O10787 g/mol

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IDENTITY

结构与身份

标准SMILES: CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N=[N+]=[N-])C(O)C3)C(C)CCC1=O)C(C)CC2OC
InChIKey: OPPTXODJPSMXAT-UHFFFAOYSA-N
分子式: C42H66N4O10
平均分子量: 787 g/mol
单同位素质量: 786.47789431

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 163 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 6
重原子: 56
形式电荷: 0
复杂度: 1,510

ALIASES

名称与别名

共 2 条

OPPTXODJPSMXAT-UHFFFAOYSA-N17-Ethyl-1-hydroxy-12-[2'-(4"-azido-3"-hydroxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone

REACTIONS