(3R,4S,5R,6S)-1-Aza-4-hydroxy-5-formyl-6-isopropyl-3-methyl-7-oxabicycl[3.3.0]octan-2-one
(3R,4S,5R,6S)-1-Aza-4-hydroxy-5-formyl-6-isopropyl-3-methyl-7-oxabicycl[3.3.0]octan-2-one · CAS 145452-03-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3R,4S,5R,6S)-1-Aza-4-hydroxy-5-formyl-6-isopropyl-3-methyl-7-oxabicycl[3.3.0]octan-2-one
- CAS
- 145452-03-5
- CID
- 10944177
- 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-carbaldehyde
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3R,4S,5R,6S)-1-Aza-4-hydroxy-5-formyl-6-isopropyl-3-methyl-7-oxabicycl[3.3.0]octan-2-one
- CAS
- 145452-03-5
- CID
- 10944177
- 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-carbaldehyde
分子属性
- 分子式
- C11H17NO4
- 分子量
- 227.26 g/mol
- 精确质量
- 227.11575802 Da
- 单同位素质量
- 227.11575802 Da
- XLogP
- 0.4
- 极性表面积
- 66.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 16
- 净电荷
- 0
- 结构复杂度
- 330
结构标识
- InChIKey
- UTCWMATZCOOTEA-HJGDQZAQSA-N
- SMILES
- C[C@@H]1[C@@H]([C@]2([C@@H](OCN2C1=O)C(C)C)C=O)O
- InChI
- InChI=1S/C11H17NO4/c1-6(2)9-11(4-13)8(14)7(3)10(15)12(11)5-16-9/h4,6-9,14H,5H2,1-3H3/t7-,8+,9+,11+/m1/s1