Cas no 298688-65-0 (3,4-Pyrrolidinediol,1-ethyl-, (3S,4S)-)
298688-65-0 structure
Product Name:3,4-Pyrrolidinediol,1-ethyl-, (3S,4S)-
CAS No:298688-65-0
MF:C6H13NO2
MW:131.172921895981
CID:249296
PubChem ID:10773007
Update Time:2025-04-19
3,4-Pyrrolidinediol,1-ethyl-, (3S,4S)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyrrolidinediol,1-ethyl-, (3S,4S)-
- 3,4-Pyrrolidinediol,1-ethyl-,(3S,4S)-(9CI)
- 298688-65-0
- (3S,4S)-1-ethylpyrrolidine-3,4-diol
- SCHEMBL15133926
-
- Inchi： 1S/C6H13NO2/c1-2-7-3-5(8)6(9)4-7/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
- InChI Key： NJSDJKSVOXUBMF-WDSKDSINSA-N
- SMILES： O[C@H]1CN(CC)C[C@@H]1O
Computed Properties
- Exact Mass: 131.09469
- Monoisotopic Mass: 131.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 87.1
- 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: -0.8
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- PSA: 43.7
3,4-Pyrrolidinediol,1-ethyl-, (3S,4S)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
298688-65-0 (3,4-Pyrrolidinediol,1-ethyl-, (3S,4S)-) Related Products
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