Cas no 3305-68-8 (9-Octadecen-1-ol,1,1',1''-phosphate, (9Z,9'Z,9''Z)-)
3305-68-8 structure
Product Name:9-Octadecen-1-ol,1,1',1''-phosphate, (9Z,9'Z,9''Z)-
CAS No:3305-68-8
MF:C54H105O4P
MW:849.382879018784
CID:306620
PubChem ID:6436723
Update Time:2025-04-19
9-Octadecen-1-ol,1,1',1''-phosphate, (9Z,9'Z,9''Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecen-1-ol,1,1',1''-phosphate, (9Z,9'Z,9''Z)-
- Tri-(9Z)-9-octadecen-1-yl phosphate
- 9-Octadecen-1-ol, phosphate (3:1), (Z,Z,Z)-
- Hostaphat KO 300
- tri-(9Z)-octadec-9-en-1-yl phosphate
- Trioleyl phosphate
- EINECS 221-983-4
- Q27247658
- 9-OCTADECEN-1-OL, PHOSPHATE (3:1), (9Z,9'Z,9''Z)-
- TRIOLEYL PHOSPHATE [INCI]
- 9-OCTADECEN-1-OL, 1,1',1''-PHOSPHATE, (9Z,9'Z,9''Z)-
- 3305-68-8
- NIKKOL TOP-0
- tris[(Z)-octadec-9-enyl] phosphate
- 04N84W7M6Y
- SCHEMBL304774
- NS00014186
- UNII-04N84W7M6Y
-
- Inchi： 1S/C54H105O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-
- InChI Key： SVETUDAIEHYIKZ-IUPFWZBJSA-N
- SMILES： P(=O)(OCCCCCCCC/C=C\CCCCCCCC)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC
Computed Properties
- Exact Mass: 848.77555
- Monoisotopic Mass: 848.77504882g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 59
- Rotatable Bond Count: 51
- Complexity: 800
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 23.2
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
9-Octadecen-1-ol,1,1',1''-phosphate, (9Z,9'Z,9''Z)- Related Literature
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Seung Soo Lee,Wenlu Li,Changwoo Kim,Minjung Cho,Jeffrey G. Catalano,Brandon J. Lafferty,Paolo Decuzzi,John D. Fortner Environ. Sci.: Nano 2015 2 500
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Seung Soo Lee,Wenlu Li,Changwoo Kim,Minjung Cho,Brandon J. Lafferty,John D. Fortner J. Mater. Chem. A 2015 3 21930
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Changwoo Kim,Seung Soo Lee,Kit Tan Kwan,Junseok Lee,Wenlu Li,Brandon J. Lafferty,Daniel E. Giammar,John D. Fortner Environ. Sci.: Nano 2020 7 3805
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E. Erik Beck,Agnes Weimer,Artur Feld,Vedran Vonk,Heshmat Noei,Dieter Lott,Arno Jeromin,Satishkumar Kulkarni,Diletta Giuntini,Alexander Plunkett,Berta Domènech,Gerold A. Schneider,Tobias Vossmeyer,Horst Weller,Thomas F. Keller,Andreas Stierle Nanoscale 2023 15 4506
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Stefanos Mourdikoudis,Melita Menelaou,Nadesh Fiuza-Maneiro,Guangchao Zheng,Shuangying Wei,Jorge Pérez-Juste,Lakshminarayana Polavarapu,Zdeněk Sofer Nanoscale Horiz. 2022 7 941
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