Cas no 126372-87-0 (Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt)
![Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt structure](https://ossimg.kuujia.com/scimg/126500/126372-87-0x500.png)
126372-87-0 structure
Product Name:Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
CAS No:126372-87-0
MF:C32H66NO7P
MW:607.842711925507
CID:158935
PubChem ID:130885
Update Time:2025-04-19
Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
- (2-acetyloxy-3-docosoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
- 1-O-docosyl-2-O-acetylglycero-3-phosphocholine
- Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,...
- 1-Dagpc
- 2-(acetyloxy)-3-(docosyloxy)propyl 2-(trimethylammonio)ethyl phosphate
- 3,5,9-Trioxa-4-phosphahentriacontan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-
- DTXSID40925526
- 2-(Acetyloxy)-3-(docosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
- PC O-22:0_2:0
- 126372-87-0
-
- Inchi： 1S/C32H66NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-37-29-32(40-31(2)34)30-39-41(35,36)38-28-26-33(3,4)5/h32H,6-30H2,1-5H3
- InChI Key： VWHZXCKKLJTHOV-UHFFFAOYSA-N
- SMILES： P(=O)([O-])(OCC(COCCCCCCCCCCCCCCCCCCCCCC)OC(C)=O)OCC[N+](C)(C)C
Computed Properties
- Exact Mass: 607.45798
- Monoisotopic Mass: 607.45769044g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 41
- Rotatable Bond Count: 32
- Complexity: 634
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 9.8
- Topological Polar Surface Area: 94.1?2
Experimental Properties
- PSA: 94.12
Ethanaminium,2-[[[2-(acetyloxy)-3-(docosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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