Cas no 55582-47-3 (Cyclopentaneoctanoicacid, 2-(2-carboxyethyl)-, (1R,2S)-rel-)
55582-47-3 structure
Product Name:Cyclopentaneoctanoicacid, 2-(2-carboxyethyl)-, (1R,2S)-rel-
CAS No:55582-47-3
MF:C16H28O4
MW:284.391125679016
CID:372557
PubChem ID:194001
Update Time:2025-04-19
Cyclopentaneoctanoicacid, 2-(2-carboxyethyl)-, (1R,2S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentaneoctanoicacid, 2-(2-carboxyethyl)-, (1R,2S)-rel-
- 8-[(1R,2S)-2-(2-carboxyethyl)cyclopentyl]octanoic acid
- tetranorprostanedioic acid
- 55582-47-3
- TNPDA
- DTXSID30204130
- Cyclopentaneoctanoic acid, 2-(2-carboxyethyl)-, trans-
-
- Inchi： 1S/C16H28O4/c17-15(18)10-5-3-1-2-4-7-13-8-6-9-14(13)11-12-16(19)20/h13-14H,1-12H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
- InChI Key： VDSTWEBFEFGHLI-KGLIPLIRSA-N
- SMILES： OC(CC[C@@H]1CCC[C@H]1CCCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 284.19884
- Monoisotopic Mass: 284.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Cyclopentaneoctanoicacid, 2-(2-carboxyethyl)-, (1R,2S)-rel- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
55582-47-3 (Cyclopentaneoctanoicacid, 2-(2-carboxyethyl)-, (1R,2S)-rel-) Related Products
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