Trisammonium (2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propyl (1R,3S)-2,3,6-trihydroxy-4,5-bis[(hydroxyphosphinato)oxy]cyclohexyl phosphate
Trisammonium (2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propyl (1R,3S)-2,3,6-trihydroxy-4,5-bis[(hydroxyphosphinato)oxy]cyclohexyl phosphate · CAS 383907-42-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Trisammonium (2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propyl (1R,3S)-2,3,6-trihydroxy-4,5-bis[(hydroxyphosphinato)oxy]cyclohexyl phosphate
- CAS
- 383907-42-4
- CID
- 46891799
- IUPAC 名称
- triazanium;[(2S,4R)-2,3,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4-[[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxycyclohexyl] hydrogen phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Trisammonium (2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propyl (1R,3S)-2,3,6-trihydroxy-4,5-bis[(hydroxyphosphinato)oxy]cyclohexyl phosphate
- CAS
- 383907-42-4
- CID
- 46891799
- IUPAC 名称
- triazanium;[(2S,4R)-2,3,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxy-4-[[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropoxy]-oxidophosphoryl]oxycyclohexyl] hydrogen phosphate
分子属性
- 分子式
- C47H94N3O19P3
- 分子量
- 1098.2 g/mol
- 精确质量
- 1097.56943877 Da
- 单同位素质量
- 1097.56943877 Da
- XLogP
- 暂无
- 极性表面积
- 314 Ų
- 氢键供体
- 8
- 氢键受体
- 19
- 可旋转键
- 44
- 重原子数
- 72
- 净电荷
- 0
- 结构复杂度
- 1620
结构标识
- InChIKey
- GAIOWTITBYPFJE-JVILRMJCSA-N
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[NH4+].[NH4+].[NH4+]
- InChI
- InChI=1S/C47H85O19P3.3H3N/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58;;;/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58);3*1H3/b13-11-,19-17-,24-22-,30-28-;;;/t39-,42?,43+,44?,45-,46?,47?;;;/m1.../s1