Cas no 106689-20-7 (Ethanaminium,2-[[[2-(dodecyloxy)-3-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt)
106689-20-7 structure
Product Name:Ethanaminium,2-[[[2-(dodecyloxy)-3-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
CAS No:106689-20-7
MF:C40H84NO6P
MW:706.071834564209
CID:157608
PubChem ID:194727
Update Time:2025-04-19
Ethanaminium,2-[[[2-(dodecyloxy)-3-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,2-[[[2-(dodecyloxy)-3-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
- (2-dodecoxy-3-icosoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
- 1-eicosyl-2-dodecyl-glycero-3-phosphocholine
- Ethanaminium,2-[[[2-(dodecyloxy)-3-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-...
- 1-Eic-2-doc-PC
- 2-(dodecyloxy)-3-(icosyloxy)propyl 2-(trimethylammonio)ethyl phosphate
- AC1L4YSP
- AC1Q22IT
- ACMC-20cuy1
- AG-K-63157
- AR-1C9210
- CTK4A4716
- 2-(Dodecyloxy)-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
- 106689-20-7
- DTXSID30910082
-
- Inchi: 1S/C40H84NO6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3
- InChI Key: VRQYDTGHBQSTIR-UHFFFAOYSA-N
- SMILES: P(=O)([O-])(OCC(COCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCC)OCC[N+](C)(C)C
Computed Properties
- Exact Mass: 705.60402
- Monoisotopic Mass: 705.60362640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 48
- Rotatable Bond Count: 40
- Complexity: 681
- 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: 14.2
- Topological Polar Surface Area: 77?2
Experimental Properties
- PSA: 77.05
Ethanaminium,2-[[[2-(dodecyloxy)-3-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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