N-((4AR,6S,7R,8R,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
N-((4AR,6S,7R,8R,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide · CAS 19234-58-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-((4AR,6S,7R,8R,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
- CAS
- 19234-58-3
- CID
- 11750777
- IUPAC 名称
- N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-((4AR,6S,7R,8R,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
- CAS
- 19234-58-3
- CID
- 11750777
- IUPAC 名称
- N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
分子属性
- 分子式
- C21H22N2O8
- 分子量
- 430.4 g/mol
- 精确质量
- 430.13761566 Da
- 单同位素质量
- 430.13761566 Da
- XLogP
- 1.5
- 极性表面积
- 132 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 4
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 629
结构标识
- InChIKey
- VEGMOSQBSHTMJS-UPGRXVQDSA-N
- SMILES
- CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@H]1OC4=CC=C(C=C4)[N+](=O)[O-])O
- InChI
- InChI=1S/C21H22N2O8/c1-12(24)22-17-18(25)19-16(11-28-20(31-19)13-5-3-2-4-6-13)30-21(17)29-15-9-7-14(8-10-15)23(26)27/h2-10,16-21,25H,11H2,1H3,(H,22,24)/t16-,17-,18-,19-,20?,21-/m1/s1