benzyl (E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
benzyl (E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate · CAS 136790-77-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- benzyl (E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
- CAS
- 136790-77-7
- CID
- 15222230
- IUPAC 名称
- benzyl (E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- benzyl (E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
- CAS
- 136790-77-7
- CID
- 15222230
- IUPAC 名称
- benzyl (E)-7-[(1R,2R,3R,5S)-2-(4,4-difluoro-3-hydroxyoctyl)-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
分子属性
- 分子式
- C32H48F2O6
- 分子量
- 566.7 g/mol
- 精确质量
- 566.34189557 Da
- 单同位素质量
- 566.34189557 Da
- XLogP
- 6.5
- 极性表面积
- 85.2 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 18
- 重原子数
- 40
- 净电荷
- 0
- 结构复杂度
- 741
结构标识
- InChIKey
- CFCWLYLWLHLRAJ-ZBOSGNAGSA-N
- SMILES
- CCCCC(C(CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)OCC2=CC=CC=C2)O)OC3CCCCO3)O)(F)F
- InChI
- InChI=1S/C32H48F2O6/c1-2-3-20-32(33,34)29(36)19-18-26-25(27(35)22-28(26)40-31-17-11-12-21-38-31)15-9-4-5-10-16-30(37)39-23-24-13-7-6-8-14-24/h4,6-9,13-14,25-29,31,35-36H,2-3,5,10-12,15-23H2,1H3/b9-4+/t25-,26-,27+,28-,29?,31?/m1/s1