160145-82-4 (泰利霉素中间体 5A,2 '-Obenzoyl-3-O-de (2,6-dideoxy-3-c-methyl-3-O-methyl-a-L-ribohexopyranosyl)oxy-11-deoxy-10,11-didehydro-6-O-methyl-3-oxoerythromycin)

CAS号:
160145-82-4
中文名称:
泰利霉素中间体 5A
英文名称:
2 '-Obenzoyl-3-O-de (2,6-dideoxy-3-c-methyl-3-O-methyl-a-L-ribohexopyranosyl)oxy-11-deoxy-10,11-didehydro-6-O-methyl-3-oxoerythromycin
分子式:
C37H55NO10
分子量:
673.833312273026

泰利霉素中间体 5A(160145-82-4)名称与标识符

名称

中文别名:
泰利霉素中间体 5A;泰利中间体(6A);
英文别名:
3-De[(2,6-dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-10,11-didehydro-11-deoxy-6-O-methyl-3-oxo-erythromycin 2'-acetate;2 ''-OBEZOYL-3-O-DE [(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-A-L-RIBOHEXOPYRANOSYL)OXY]-11-DEOXY-10,11-DIDEHYDRO-6-O-METHYL-3-OXO ERYTHROMYCIN;Telithromycin intermediate (6A);3-de[(2,6-dideoxy-3-c-methyl-3-o-methyl-a-l-ribo-hexopyranosyl)oxy]-10,11-didehydro-11-deoxy-6-o-methyl-3-oxo-erythromycin 2’-acetate;2 ∧ -OBEZOYL -3-O-DE [(2, 6-DIDEOXY-3-C-METHYL-3-O-METHYL-α-L-RIBOHEXOPYRANOSYL)OXY]-11-DEOXY-10,11-DIDEHYDRO-6-O-METHYL-3-OXO ERYTHROMYCIN;2’-OBEZOYL-3-O-DE[(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBOHEXOPYRANOSYL)OXY]-11-DEOXY-10,11-DIDEHYDRO-6-O-METHYL-3-OXO-ERYTHROMYCIN;2 ’’-OBEZOYL -3-O-DE [(2, 6-DIDEOXY-3-C-METHYL-3-O-METHYL-A-L-RIBOHEXOPYRANOSYL)OXY]-11-DEOXY-10,11-DIDEHYDRO-6-O-METHYL-3-OXO ERYTHROMYCIN;2'-OBEZOYL-3-O-DE[(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBOHEXOPYRANOSYL)OXY]-11-DEOXY-10,11-DIDEHYDRO-6-O-METHYL-3-OXO-ERYTHROMYCIN;2 ''-OBEZOYL -3-O-DE [(2, 6-DIDEOXY-3-C-METHYL-3-O-METHYL-A-L-RIBOHEXOPYRANOSYL)OXY]-11-DEOXY-10,11-DIDEHYDRO-6-O-METHYL-3-OXO ERYTHROMYCIN;160145-82-4;[(2S,3R,4S,6R)-4-(Dimethylamino)-2-[[(3R,5R,6R,7R,9R,11E,13S,14R)-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] benzoate;

标识符

InChIKey:
ZHLSXNLCQSCHHR-JVQYYQIBSA-N
Inchi:
1S/C37H55NO10/c1-12-28-36(7,43)19-21(2)29(39)22(3)20-37(8,44-11)32(24(5)30(40)25(6)33(41)46-28)48-35-31(27(38(9)10)18-23(4)45-35)47-34(42)26-16-14-13-15-17-26/h13-17,19,22-25,27-28,31-32,35,43H,12,18,20H2,1-11H3/b21-19+/t22-,23-,24+,25-,27+,28-,31-,32-,35+,36+,37-/m1/s1
SMILES:
O([C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)OC(C1C=CC=CC=1)=O)[C@@H]1[C@@H](C)C([C@@H](C)C(=O)O[C@H](CC)[C@](C)(C=C(C)C([C@H](C)C[C@@]1(C)OC)=O)O)=O |c:36|

泰利霉素中间体 5A(160145-82-4)物化性质

实验特性

  • LogP : 4.53670
  • PSA : 137.90000
  • 密度 : 1.14

计算特性

  • 精确分子量 : 673.38300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 8
  • 同位素质量 : 673.38259695g/mol
  • 重原子数量 : 48
  • 复杂度 : 1180
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 11
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 5.1
  • 拓扑分子极性表面积 : 138Ų

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