找化学品上960化工网!
960化工网

2-乙酰基-1-油酰基-SN-丙三醇 | 86390-77-4

2-乙酰基-1-油酰基-SN-丙三醇结构式图片|86390-77-4结构式图片
2-乙酰基-1-油酰基-SN-丙三醇
1-Oleoyl-2-acetyl-sn-glycerol
86390-77-4
C23H42O5
398.576588153839
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-乙酰基-1-油酰基-SN-丙三醇结构式
24898039
简介
1-Oleoyl-2-acetyl-sn glycerol是一种合成的,细胞渗透性二酰基甘油类似物。?1-Oleoyl-2-acetyl-sn glycerol激活钙依赖蛋白激酶C (PKC),并诱导超氧化物的产生。
名称和标识符
MDL MFCD00166985
InChIKey PWTCCMJTPHCGMS-YRBAHSOBSA-N
Inchi 1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10-/t22-/m0/s1
SMILES [C@@H](CO)(OC(=O)C)COC(=O)CCCCCCC/C=C\CCCCCCCC
别名信息
- 中文别名 -
  • 1-油酰基-2-乙酰基-sn-丙三醇
  • 2-乙酰基-1-油酰基-SN-丙三醇
  • 1-(顺-9-油酰基)-2-乙酰基-sn-甘油
  • 2-乙酰基-1-油酰基-sn-甘油
- 英文别名 -
  • 9-Octadecenoic acid(9Z)-, (2S)-2-(acetyloxy)-3-hydroxypropyl ester
  • 1-Oleoyl-2-acetyl-sn-glycerol
  • 1-Oleoyl-2-acetyl-sn
  • (9Z)-9-Octadecenoic acid (2S)-2-(acetyloxy)-3-hydroxypropyl ester
  • OAG
  • 1--(9Z-octadecenoyl)-2-acetoyl-sn-glycerol
  • 2:0
  • DG(18:1(9Z)
  • DG(18:1(9Z)/2:0/0:0)
  • 1--(9Z-octadecenoyl)-2-acetoyl-sn-glycerol
  • DG(18:1(9Z)/2:0/0:0)
  • OAG
  • (2S)-2-(Acetyloxy)-3-hydroxypropyl (9Z)-9-octadecenoate (ACI)
  • 9-Octadecenoic acid (Z)-, 2-(acetyloxy)-3-hydroxypropyl ester, (S)- (ZCI)
  • 2-Acetyl-1-oleoyl-sn-glycerol
  • sn-1-Oleoyl-2-acetylglycerol
  • 1-Oleoyl-2-acetyl-sn-glycerol (OAG)
物化性质
实验特性
LogP 5.49110
PSA 72.83000
溶解度 ethanol: 20 mg/mL
浓度 2 mg/mL (800100C-10mg)
5 mg/mL (800100C-25mg)
颜色与性状 无色粘性液体
稳定性 Temperature Sensitive. This compound can rearrange to the 1,3-isomer in solution or during prolonged storage.
溶解性 乙醇: 20 mg/mL
计算特性
精确分子量 398.30300
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 21
重原子数量 28
复杂度 406
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 1
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) 6.9
互变异构体数量
表面电荷 0
安全信息
WGK Germany 3
危险品运输编号 NONH for all modes of transport
储存条件 −20°C
FLUKA BRAND F CODES 10-23
合成路线

合成路线:3 步

反应条件:
参考文献:
Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2007, 5(23), 3787-3800

合成路线:5 步

反应条件:
参考文献:
Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2007, 5(23), 3787-3800

合成路线:1 步

反应条件:
参考文献:
Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2007, 5(23), 3787-3800

合成路线:4 步

反应条件:
参考文献:
O-Silylated C3-halohydrins as a novel class of protected building blocks for total, regio- and stereocontrolled synthesis of glycerolipid frameworks
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2010, 8(2), 463-477

合成路线:4 步

反应条件:
参考文献:
Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2007, 5(23), 3787-3800

合成路线:1 步

反应条件:
参考文献:
A direct transformation of O-silyl groups into O-trichloroacetates. A novel synthetic approach to protein kinase C ligands: 1-oleoyl-2-acetyl- and 1-hexadecyl-2-acetyl-sn-glycerols
Stamatov, Stephan D.; et al, Tetrahedron Letters, 2005, 46(40), 6855-6859

合成路线:2 步

反应条件:
参考文献:
A direct transformation of O-silyl groups into O-trichloroacetates. A novel synthetic approach to protein kinase C ligands: 1-oleoyl-2-acetyl- and 1-hexadecyl-2-acetyl-sn-glycerols
Stamatov, Stephan D.; et al, Tetrahedron Letters, 2005, 46(40), 6855-6859

合成路线:2 步

反应条件:
参考文献:
O-Silylated C3-halohydrins as a novel class of protected building blocks for total, regio- and stereocontrolled synthesis of glycerolipid frameworks
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2010, 8(2), 463-477

合成路线:3 步

反应条件:
参考文献:
O-Silylated C3-halohydrins as a novel class of protected building blocks for total, regio- and stereocontrolled synthesis of glycerolipid frameworks
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2010, 8(2), 463-477

合成路线:2 步

反应条件:
参考文献:
Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2007, 5(23), 3787-3800

合成路线:5 步

反应条件:
参考文献:
Regioselective and stereospecific acylation across oxirane- and silyloxy systems as a novel strategy to the synthesis of enantiomerically pure mono-, di- and triglycerides
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2007, 5(23), 3787-3800

合成路线:2 步

反应条件:
参考文献:
A direct transformation of O-silyl groups into O-trichloroacetates. A novel synthetic approach to protein kinase C ligands: 1-oleoyl-2-acetyl- and 1-hexadecyl-2-acetyl-sn-glycerols
Stamatov, Stephan D.; et al, Tetrahedron Letters, 2005, 46(40), 6855-6859

合成路线:1 步

反应条件:
参考文献:
O-Silylated C3-halohydrins as a novel class of protected building blocks for total, regio- and stereocontrolled synthesis of glycerolipid frameworks
Stamatov, Stephan D.; et al, Organic & Biomolecular Chemistry, 2010, 8(2), 463-477
专业数据库参考
PubChemId 24898039
参考资料
Beilstein 8168731
960化工网为您提供2-乙酰基-1-油酰基-SN-丙三醇专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:86390-77-4,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:86390-77-4
平台客服 平台客服

平台在线客服