165689-81-6 (缬沙坦甲酯,D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI))

CAS号:
165689-81-6
中文名称:
缬沙坦甲酯
英文名称:
D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI)
分子式:
C41H80O16P2
分子量:
891.011837005615

缬沙坦甲酯(165689-81-6)名称与标识符

名称

中文别名:
3-磷酸磷脂酰肌醇;缬沙坦甲酯;
英文别名:
D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI);(2R)-3-[(hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate;D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenpho...;PI(3)P-NA+, DI C16;Cmc_9578;Cmc_6572;Dipalmitoylphosphoinositol;D-Myo-phosphatidylinositol 3-phosphate (ptdins(3)p);Hexadecanoic acid, 1-[[[hydroxy[[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy];(Phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester;D-myo-Inositol, 1-(2R)-2,3-bis(1-oxohexadecyl)oxypropyl hydrogen phosphate 3-(dihydrogen phosphate);(R)-2-Hexadecanoyloxy-3-[hydroxy-((1S,2R,3R,4S,5S,6R)-2,4,5,6-tetrahydroxy-3-;Hexadecanoic acid, (1R)-2-[[hydroxy[[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-;D-Myo-inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) (9ci);165689-81-6;CHEBI:82963;PIP[3'](16:0/16:0);L-alpha-Phosphatidyl-D-myo-inositol 3-monophosphate, dipalmitoyl;DTXSID20349241;PtdIns(3)P;PI(3)P;Phosphatidyl (3) inositol monophosphate;Q27156501;L- alpha -Phosphatidyl-D-myo-inositol 3-monophosphate, dipalmitoyl;1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate);phosphatidylinositol-3-monophosphate;1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate);R-1-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) D-myo-inositol;PD007451;SZPQTEWIRPXBTC-KFOWTEFUSA-N;(2R)-3-((Hydroxy(((1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl)oxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate;

标识符

InChIKey:
SZPQTEWIRPXBTC-KFOWTEFUSA-N
Inchi:
1S/C41H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h33,36-41,44-47H,3-32H2,1-2H3,(H,51,52)(H2,48,49,50)/t33-,36+,37+,38-,39-,40-,41+/m1/s1
SMILES:
P(=O)(O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O

缬沙坦甲酯(165689-81-6)物化性质

实验特性

  • LogP : 7.84130
  • PSA : 275.66000
  • 折射率 : 1.518
  • 沸点 : 921.1°Cat760mmHg
  • 闪点 : 510.9°C
  • 密度 : 1.21

计算特性

  • 精确分子量 : 890.49216
  • 氢键供体数量 : 7
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 40
  • 同位素质量 : 890.49216
  • 重原子数量 : 59
  • 复杂度 : 1170
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 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
  • 疏水参数计算参考值(XlogP) : 9.1
  • 拓扑分子极性表面积 : 256

缬沙坦甲酯(165689-81-6)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
询单