Cas no 145191-14-6 ((5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid)
145191-14-6 structure
Product Name:(5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid
CAS No:145191-14-6
MF:C20H30O2
MW:307.481814861298
CID:1315567
PubChem ID:131700180
Update Time:2025-04-20
(5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid Chemical and Physical Properties
Names and Identifiers
-
- (5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid
- LogP
- cis-Eicosapenta-5,8,11,14,17-enoic acid-[d5]
- 145191-14-6
-
- Inchi： 1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-19H,2-9H2,1H3,(H,21,22)/b11-10+,13-12+,15-14+,17-16+,19-18+/i15D,16D,17D,18D,19D
- InChI Key： SBHCLVQMTBWHCD-AOFDMEJYSA-N
- SMILES： OC(/C(/[2H])=C(\[2H])/C(/[2H])=C(\[2H])/C(/[2H])=C/C=C/C=C/CCCCCCCCC)=O
Computed Properties
- Exact Mass: 312.2874
- Monoisotopic Mass: 307.255963925g/mol
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 5
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.958 g/mL at 25 °C
- Melting Point: -54--53 °C(lit.)
- Flash Point: 93 °C
- PSA: 37.3
(5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid Security Information
- Hazard Category Code： 34
- Safety Instruction： 26-36/37/39-45
-
Hazardous Material Identification：
(5Z,8Z,11Z,14Z,17Z)-19,19,20,20,20-pentadeuterioicosa-5,8,11,14,17-pentaenoic acid Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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