3-Acetyltylosin
3-Acetyltylosin · CAS 63409-10-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-Acetyltylosin
- CAS
- 63409-10-9
- CID
- 6426606
- IUPAC 名称
- [(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-Acetyltylosin
- CAS
- 63409-10-9
- CID
- 6426606
- IUPAC 名称
- [(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
分子属性
- 分子式
- C48H79NO18
- 分子量
- 958.1 g/mol
- 精确质量
- 957.52971467 Da
- 单同位素质量
- 957.52971467 Da
- XLogP
- 1.6
- 极性表面积
- 245 Ų
- 氢键供体
- 4
- 氢键受体
- 19
- 可旋转键
- 15
- 重原子数
- 67
- 净电荷
- 0
- 结构复杂度
- 1680
结构标识
- InChIKey
- SXJMWODQOMKONK-LQTDYXTMSA-N
- SMILES
- CCC1C(/C=C(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)COC4C(C(C(C(O4)C)O)OC)OC
- InChI
- InChI=1S/C48H79NO18/c1-14-34-32(23-60-47-44(59-13)43(58-12)39(54)27(5)62-47)19-24(2)15-16-33(52)25(3)20-31(17-18-50)41(26(4)35(64-30(8)51)21-36(53)65-34)67-46-40(55)38(49(10)11)42(28(6)63-46)66-37-22-48(9,57)45(56)29(7)61-37/h15-16,18-19,25-29,31-32,34-35,37-47,54-57H,14,17,20-23H2,1-13H3/b16-15+,24-19+