63783-51-7 (Morphinan, 17-methyl-,(?脿)-, phosphate (salt) (9CI),N-Methylmorphinan phosphate)

CAS号:
63783-51-7
中文名称:
Morphinan, 17-methyl-,(?脿)-, phosphate (salt) (9CI)
英文名称:
N-Methylmorphinan phosphate
分子式:
C17H26NO4P
分子量:
339.3664

Morphinan, 17-methyl-,(?脿)-, phosphate (salt) (9CI)(63783-51-7)名称与标识符

名称

中文别名:
Morphinan, 17-methyl-,(?脿)-, phosphate (salt) (9CI);
英文别名:
N-Methylmorphinan phosphate;Morphinan, N-methyl-, phosphate;Morphinan, 17-methyl-, phosphate, (+-)-;

标识符

InChIKey:
VQQGMYWNLQESNT-VNMUXGFYSA-N
Inchi:
1S/C17H23N.H3O4P/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17;1-5(2,3)4/h2-3,6-7,15-16H,4-5,8-12H2,1H3;(H3,1,2,3,4)/t15-,16+,17-;/m0./s1
SMILES:
P(=O)(O[H])(O[H])O[H].N1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23C4=C([H])C([H])=C([H])C([H])=C4C([H])([H])[C@]1([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H]

Morphinan, 17-methyl-,(?脿)-, phosphate (salt) (9CI)(63783-51-7)物化性质

计算特性

  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 0
  • 重原子数量 : 23
  • 复杂度 : 375
  • 拓扑分子极性表面积 : 81