氟红霉素
Flurithromycin · CAS 82664-20-8
- 中文名
- 氟红霉素
- 中文别名
- 暂无
- 英文名
- Flurithromycin
- CAS
- 82664-20-8
- CID
- 71260
- IUPAC 名称
- (3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
名称与编号
- 中文名
- 氟红霉素
- 中文别名
- 暂无
- 英文名
- Flurithromycin
- CAS
- 82664-20-8
- CID
- 71260
- IUPAC 名称
- (3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
分子属性
- 分子式
- C37H66FNO13
- 分子量
- 751.9 g/mol
- 精确质量
- 751.45181932 Da
- 单同位素质量
- 751.45181932 Da
- XLogP
- 2.8
- 极性表面积
- 194 Ų
- 氢键供体
- 5
- 氢键受体
- 15
- 可旋转键
- 7
- 重原子数
- 52
- 净电荷
- 0
- 结构复杂度
- 1230
结构标识
- InChIKey
- XOEUHCONYHZURQ-HNUBZJOYSA-N
- SMILES
- CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)(C)F)C)O)(C)O
- InChI
- InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1