Cas no 753425-21-7 (1,2-Ethanediol,1-[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-, (1R)-)
![1,2-Ethanediol,1-[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-, (1R)- structure](https://ossimg.kuujia.com/scimg/753500/753425-21-7x500.png)
753425-21-7 structure
Product Name:1,2-Ethanediol,1-[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-, (1R)-
CAS No:753425-21-7
MF:C6H13NO3
MW:147.172322034836
CID:561827
Update Time:2022-07-26
1,2-Ethanediol,1-[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-, (1R)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Ethanediol,1-[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-, (1R)-
- 1,2-Ethanediol,1-(4-hydroxy-2-pyrrolidinyl)-, [2S-[2a(S*),4a]]- (9CI)
- 1,2-Ethanediol,1-(4-hydroxy-2-pyrrolidinyl)-,[2S-[2alpha(S*),4alpha]]-(9CI)
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- Inchi： 1S/C6H13NO3/c8-3-6(10)5-1-4(9)2-7-5/h4-10H,1-3H2/t4-,5-,6-/m0/s1
- InChI Key： OTLCKXPDWKVKAY-ZLUOBGJFSA-N
- SMILES： [C@H]([C@@H]1C[C@H](O)CN1)(O)CO
Computed Properties
- Exact Mass: 147.09
- Monoisotopic Mass: 147.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.7A^2
1,2-Ethanediol,1-[(2S,4S)-4-hydroxy-2-pyrrolidinyl]-, (1R)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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