9-十八碳烯酸(9Z)-,1-[[(2-氨基乙氧基)羟基膦基]氧基]甲基]-2-[(1-氧代十六烷基)氧基]乙酯 | 10015-88-0
中文名称:
9-十八碳烯酸(9Z)-,1-[[(2-氨基乙氧基)羟基膦基]氧基]甲基]-2-[(1-氧代十六烷基)氧基]乙酯
英文名称:
9-Octadecenoic acid(9Z)-,1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethylester
CAS No.:
10015-88-0
分子式:
C3 9 H7 6 NO8 P
分子量:
717.99644
名称和标识符
InChIKey
FHQVHHIBKUMWTI-ZCXUNETKSA-N
Inchi
InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-
SMILES
CCCCCCCC/C=C\CCCCCCCC(OC(COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCC)=O)=O
别名信息
- 英文别名 -
9-Octadecenoic acid(9Z)-,1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethylester
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
1-palmitoyl-2-oleoylphosphatidylethanolamine
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
1-palmitoyl-2-oleolyl-sn-glycerophosphatidylethanolamine
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
1-palmitoyl-2-oleoyl-sn-glycerol-3-phosphatidylethanolamine
1-Pops
2-oleoyl-1-palmitoyl phosphatidylethanolamine
2-oleoyl-1-palmitoylpho
AC1NQZT4
C13877
CHEBI:60286
Epitope ID:136782
PE (16:0, 18:1)
POPE
starbld0007244
PE 16:0_18:1
9-Octadecenoic acid (Z)-, 1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-2-((1-oxohexadecyl)oxy)ethyl ester
10015-88-0
Q27127166
1-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl oleate
DTXSID201256135
3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z)-octadec-9-enoyloxy]propyl hexadecanoate
1-palmitoyl-2-oleoyl phosphatidylethanolamine
2-oleoyl-1-palmitoylphosphatidylethanolamine
SCHEMBL20214623
物化性质
实验特性
LogP
11.75280
PSA
134.38
折射率
1.479
沸点
741.6°C at 760 mmHg
闪点
402.3°C
密度
1.009
计算特性
精确分子量
717.53118
氢键供体数量
2
氢键受体数量
9
可旋转化学键数量
40
同位素质量
717.531
重原子数量
49
复杂度
825
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
1
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)
10.4
拓扑分子极性表面积
134A^2
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9-十八碳烯酸(9Z)-,1-[[(2-氨基乙氧基)羟基膦基]氧基]甲基]-2-[(1-氧代十六烷基)氧基]乙酯推荐生产厂家