3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate · CAS 146275-15-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
- CAS
- 146275-15-2
- CID
- 4181437
- IUPAC 名称
- 3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
- CAS
- 146275-15-2
- CID
- 4181437
- IUPAC 名称
- 3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
分子属性
- 分子式
- C16H18N2O6
- 分子量
- 334.32 g/mol
- 精确质量
- 334.1164863 Da
- 单同位素质量
- 334.1164863 Da
- XLogP
- -0.3
- 极性表面积
- 114 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 2
- 重原子数
- 24
- 净电荷
- 0
- 结构复杂度
- 545
结构标识
- InChIKey
- DXCAURCQPPWRAO-UHFFFAOYSA-N
- SMILES
- CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C=C(O3)C(=O)[O-])O)O
- InChI
- InChI=1S/C16H18N2O6/c1-17-10(4-5-13(17)20)9-3-2-6-18(8-9)15-14(21)11(19)7-12(24-15)16(22)23/h2-3,6-8,10-11,14-15,19,21H,4-5H2,1H3