Cas no 714908-75-5 (1,2-Ethanediol,1-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-,(1R)-(9CI))
714908-75-5 structure
Product Name:1,2-Ethanediol,1-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-,(1R)-(9CI)
CAS No:714908-75-5
MF:C6H13NO3
MW:147.172322034836
CID:558119
Update Time:2023-03-29
1,2-Ethanediol,1-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-,(1R)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Ethanediol,1-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-, (1R)-
- 1,2-Ethanediol,1-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-,(1R)-(9CI)
- 1,2-Ethanediol, 1-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-, (1R)-
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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+/m1/s1
- InChI Key: OTLCKXPDWKVKAY-PBXRRBTRSA-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-[(2R,4R)-4-hydroxy-2-pyrrolidinyl]-,(1R)-(9CI) 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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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