azanium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate
azanium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate · CAS 474943-47-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- azanium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate
- CAS
- 474943-47-0
- CID
- 46891688
- IUPAC 名称
- azanium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- azanium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate
- CAS
- 474943-47-0
- CID
- 46891688
- IUPAC 名称
- azanium [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-[[(4R)-2,3,5,6-tetrahydroxy-4-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]ethyl phosphate
分子属性
- 分子式
- C53H103N2O18P
- 分子量
- 1087.4 g/mol
- 精确质量
- 1086.69435144 Da
- 单同位素质量
- 1086.69435144 Da
- XLogP
- 暂无
- 极性表面积
- 305 Ų
- 氢键供体
- 10
- 氢键受体
- 19
- 可旋转键
- 51
- 重原子数
- 74
- 净电荷
- 0
- 结构复杂度
- 1440
结构标识
- InChIKey
- POKKWVSABAYGGQ-GDPHZLNSSA-N
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNCC(C([C@@H](C(CO)O)O[C@H]1C(C([C@H](C(O1)CO)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[NH4+]
- InChI
- InChI=1S/C53H100NO18P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(59)67-40-42(70-47(60)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-69-73(65,66)68-36-35-54-37-43(57)48(61)52(44(58)38-55)72-53-51(64)50(63)49(62)45(39-56)71-53;/h17-20,42-45,48-58,61-64H,3-16,21-41H2,1-2H3,(H,65,66);1H3/b19-17-,20-18-;/t42-,43?,44?,45?,48?,49+,50?,51?,52-,53+;/m1./s1