Cas no 120742-29-2 (D-threo-Pentaric acid,3-deoxy-, 1,4-lactone, 5-methyl ester (9CI))
120742-29-2 structure
Product Name:D-threo-Pentaric acid,3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
CAS No:120742-29-2
MF:C6H8O5
MW:160.124722480774
CID:104967
PubChem ID:45089888
Update Time:2025-04-18
D-threo-Pentaric acid,3-deoxy-, 1,4-lactone, 5-methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-threo-Pentaric acid,3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
- D-threo-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
- (2S,4S)-Methyl 4-hydroxy-5-oxotetrahydrofuran-2-carboxylate
- 120742-29-2
- (2S,4S)-Methyl4-hydroxy-5-oxotetrahydrofuran-2-carboxylate
-
- Inchi： 1S/C6H8O5/c1-10-6(9)4-2-3(7)5(8)11-4/h3-4,7H,2H2,1H3/t3-,4-/m0/s1
- InChI Key： UNSIDMOABLNHFX-IMJSIDKUSA-N
- SMILES： O1C([C@H](C[C@H]1C(=O)OC)O)=O
Computed Properties
- Exact Mass: 160.03714
- Monoisotopic Mass: 160.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 187
- 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: -0.4
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
D-threo-Pentaric acid,3-deoxy-, 1,4-lactone, 5-methyl ester (9CI) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
120742-29-2 (D-threo-Pentaric acid,3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)) Related Products
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