112015-19-7 ((3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI))

CAS号:
112015-19-7
英文名称:
3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI)
分子式:
C26H52NO8P
分子量:
539.659291267395

3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI)(112015-19-7)名称与标识符

名称

英文别名:
3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI);3,5,9-TRIOXA-4-PHOSPHAPENTACOSAN-1-AMINIUM-10-14C, 7-(ACETYLOXY)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-, INNER SALT, 4-OXIDE,;3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-o...;3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(;3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide];3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,;

标识符

InChIKey:
XPAXRSJGGFVTFM-XTTHZMQRSA-N
Inchi:
1S/C26H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-22-25(35-24(2)28)23-34-36(30,31)33-21-20-27(3,4)5/h25H,6-23H2,1-5H3/i26+2
SMILES:
C([N+](C)(C)C)COP(=O)([O-])OCC(OC(C)=O)CO[14C](=O)CCCCCCCCCCCCCCC

3,5,9-Trioxa-4-phosphapentacosan-1-aminium-10-14C,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI)(112015-19-7)物化性质

实验特性

  • PSA : 111.19

计算特性

  • 精确分子量 : 525.35396
  • 氢键供体数量 : 0
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 26
  • 同位素质量 : 539.346
  • 重原子数量 : 36
  • 复杂度 : 615
  • 同位素原子数量 : 1
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 拓扑分子极性表面积 : 111A^2