(3R,4S,5S,6S)-1-Aza-5-carboxyl-4-hydroxy-6-isopropyl-3-methyl-7-oxabicyclo[3.3.0]octan-2-one
(3R,4S,5S,6S)-1-Aza-5-carboxyl-4-hydroxy-6-isopropyl-3-methyl-7-oxabicyclo[3.3.0]octan-2-one · CAS 145451-96-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3R,4S,5S,6S)-1-Aza-5-carboxyl-4-hydroxy-6-isopropyl-3-methyl-7-oxabicyclo[3.3.0]octan-2-one
- CAS
- 145451-96-3
- CID
- 11010155
- IUPAC 名称
- (1S,6R,7S,7aS)-7-hydroxy-6-methyl-5-oxo-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3R,4S,5S,6S)-1-Aza-5-carboxyl-4-hydroxy-6-isopropyl-3-methyl-7-oxabicyclo[3.3.0]octan-2-one
- CAS
- 145451-96-3
- CID
- 11010155
- IUPAC 名称
- (1S,6R,7S,7aS)-7-hydroxy-6-methyl-5-oxo-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylic acid
分子属性
- 分子式
- C11H17NO5
- 分子量
- 243.26 g/mol
- 精确质量
- 243.11067264 Da
- 单同位素质量
- 243.11067264 Da
- XLogP
- 0.5
- 极性表面积
- 87.1 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子数
- 17
- 净电荷
- 0
- 结构复杂度
- 369
结构标识
- InChIKey
- YOALNADCXVHACH-GLLZPBPUSA-N
- SMILES
- C[C@@H]1[C@@H]([C@]2([C@@H](OCN2C1=O)C(C)C)C(=O)O)O
- InChI
- InChI=1S/C11H17NO5/c1-5(2)8-11(10(15)16)7(13)6(3)9(14)12(11)4-17-8/h5-8,13H,4H2,1-3H3,(H,15,16)/t6-,7+,8+,11+/m1/s1