2-((2R,4aR,6S,7R,8R,8aS)-8-Hydroxy-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)isoindoline-1,3-dione
2-((2R,4aR,6S,7R,8R,8aS)-8-Hydroxy-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)isoindoline-1,3-dione · CAS 138906-43-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-((2R,4aR,6S,7R,8R,8aS)-8-Hydroxy-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)isoindoline-1,3-dione
- CAS
- 138906-43-1
- CID
- 11272058
- IUPAC 名称
- 2-[(2R,4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-((2R,4aR,6S,7R,8R,8aS)-8-Hydroxy-6-(4-methoxyphenoxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-yl)isoindoline-1,3-dione
- CAS
- 138906-43-1
- CID
- 11272058
- IUPAC 名称
- 2-[(2R,4aR,6S,7R,8R,8aS)-8-hydroxy-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
分子属性
- 分子式
- C28H25NO8
- 分子量
- 503.5 g/mol
- 精确质量
- 503.15801676 Da
- 单同位素质量
- 503.15801676 Da
- XLogP
- 3
- 极性表面积
- 104 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 801
结构标识
- InChIKey
- SHSWKRFHEJOKLK-ZKVDKWSRSA-N
- SMILES
- COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)O)N5C(=O)C6=CC=CC=C6C5=O
- InChI
- InChI=1S/C28H25NO8/c1-33-17-11-13-18(14-12-17)35-28-22(29-25(31)19-9-5-6-10-20(19)26(29)32)23(30)24-21(36-28)15-34-27(37-24)16-7-3-2-4-8-16/h2-14,21-24,27-28,30H,15H2,1H3/t21-,22-,23-,24-,27-,28-/m1/s1