HIT ID: HIT218832943

Cas No:

分子式: C41H78Na3O19P3

分子量: 1036.947

常用名: trisodium (1R,2S,3R,4R,5S,6R)-4-{[(2R)-2,3-bis(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2,3,5-trihydroxy-6-(phosphonatooxy)cyclohexyl hydrogen phosphate, PtdIns-(4,5)-P2 (1,2-dipalmitoyl) sodium

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: trisodium (1R,2S,3R,4R,5S,6R)-4-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,3,5-trihydroxy-6-(phosphonatooxy)cyclohexyl hydrogen phosphate

SMILES: [Na+].[Na+].[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC

InChI key: STJBVCQNLFXTFJ-QNYQTKJTSA-K