Cas no 780728-75-8 (2H-Pyran-2-one,3-aminotetrahydro-3-methyl-, (3S)-)
780728-75-8 structure
Product Name:2H-Pyran-2-one,3-aminotetrahydro-3-methyl-, (3S)-
CAS No:780728-75-8
MF:C6H11NO2
MW:129.157041788101
CID:553703
Update Time:2022-07-26
2H-Pyran-2-one,3-aminotetrahydro-3-methyl-, (3S)- Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyran-2-one,3-aminotetrahydro-3-methyl-, (3S)-
- 2H-Pyran-2-one,3-aminotetrahydro-3-methyl-, (S)- (9CI)
- 2H-Pyran-2-one,3-aminotetrahydro-3-methyl-,(S)-(9CI)
- 2H-Pyran-2-one, 3-aminotetrahydro-3-methyl-, (3S)-
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- Inchi： 1S/C6H11NO2/c1-6(7)3-2-4-9-5(6)8/h2-4,7H2,1H3/t6-/m0/s1
- InChI Key： XULZPVODYVNDNT-LURJTMIESA-N
- SMILES： C1(=O)OCCC[C@@]1(N)C
Computed Properties
- Exact Mass: 129.079
- Monoisotopic Mass: 129.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 135
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3A^2
2H-Pyran-2-one,3-aminotetrahydro-3-methyl-, (3S)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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