16:0-d31-18:1 PS, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-L-serine] (sodium salt), chloroform
16:0-d31-18:1 PS, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-L-serine] (sodium salt), chloroform · CAS 327178-96-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 16:0-d31-18:1 PS, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-L-serine] (sodium salt), chloroform
- CAS
- 327178-96-1
- CID
- 46891721
- IUPAC 名称
- sodium (2S)-2-azaniumyl-3-[[(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 16:0-d31-18:1 PS, 1-palmitoyl-d31-2-oleoyl-sn-glycero-3-[phospho-L-serine] (sodium salt), chloroform
- CAS
- 327178-96-1
- CID
- 46891721
- IUPAC 名称
- sodium (2S)-2-azaniumyl-3-[[(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate
分子属性
- 分子式
- C40H75NNaO10P
- 分子量
- 815.2 g/mol
- 精确质量
- 814.69720799 Da
- 单同位素质量
- 814.69720799 Da
- XLogP
- 暂无
- 极性表面积
- 179 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 40
- 重原子数
- 53
- 净电荷
- 0
- 结构复杂度
- 934
结构标识
- InChIKey
- RQYKXRYGZHMUSU-XETPNRLVSA-M
- SMILES
- [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
- InChI
- InChI=1S/C40H76NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,36-37H,3-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b18-17-;/t36-,37+;/m1./s1/i2D3,4D2,6D2,8D2,10D2,12D2,14D2,16D2,19D2,21D2,23D2,25D2,27D2,29D2,31D2;