(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid;hydrochloride
(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid;hydrochloride · CAS 58199-96-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid;hydrochloride
- CAS
- 58199-96-5
- CID
- 24196751
- IUPAC 名称
- (2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid;hydrochloride
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid;hydrochloride
- CAS
- 58199-96-5
- CID
- 24196751
- IUPAC 名称
- (2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid;hydrochloride
分子属性
- 分子式
- C26H28ClNO11
- 分子量
- 566 g/mol
- 精确质量
- 565.1350884 Da
- 单同位素质量
- 565.1350884 Da
- XLogP
- 暂无
- 极性表面积
- 206 Ų
- 氢键供体
- 7
- 氢键受体
- 12
- 可旋转键
- 4
- 重原子数
- 39
- 净电荷
- 0
- 结构复杂度
- 961
结构标识
- InChIKey
- HUXYGCZFLAONTF-FZGDCAGASA-N
- SMILES
- CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)O)O)N)O.Cl
- InChI
- InChI=1S/C26H27NO11.ClH/c1-9-20(28)12(27)6-15(37-9)38-14-8-26(35,25(33)34)7-11-17(14)24(32)19-18(22(11)30)21(29)10-4-3-5-13(36-2)16(10)23(19)31;/h3-5,9,12,14-15,20,28,30,32,35H,6-8,27H2,1-2H3,(H,33,34);1H/t9?,12?,14-,15?,20?,26-;/m0./s1