Cas no 186759-56-8 (3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-rel-)
186759-56-8 structure
Product Name:3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-rel-
CAS No:186759-56-8
MF:C5H12ClNO3
MW:169.606680870056
CID:114900
PubChem ID:13784504
Update Time:2025-04-18
3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-rel-
- (2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
- 1,4-Dideoxy-1,4-imino-DL-ribitol
- rel-(2R,3R,4S)-2-(Hydroxymethyl)-3,4-pyrrolidinediol
- 101399-04-6
- SCHEMBL2562496
- W-202962
- (2R,3S,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol hydrochloride
- 186759-56-8
- 1,4-dideoxy-1,4-imino-d-xylitol hydrochloride
- (2R,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
- (2R,3S,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diolhydrochloride
- 52019-89-3
- 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-rel-
-
- Inchi： 1S/C5H11NO3.ClH/c7-2-3-5(9)4(8)1-6-3;/h3-9H,1-2H2;1H/t3-,4+,5+;/m1./s1
- InChI Key： PZGVJCJRMKIVLJ-UZKLXKKNSA-N
- SMILES： Cl.O[C@@H]1[C@H](CN[C@@H]1CO)O
Computed Properties
- Exact Mass: 169.0505709g/mol
- Monoisotopic Mass: 169.0505709g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 98.2
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 72.7?2
3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-rel- Related Literature
-
Huimin Zhai,Maria Zlotorzynska,Glenn Sammis Chem. Commun. 2009 5716
-
Keith Clinch,Gary B. Evans,George W. J. Fleet,Richard H. Furneaux,Stephen W. Johnson,Dirk H. Lenz,Simon P. H. Mee,Peter R. Rands,Vern L. Schramm,Erika A. Taylor Ringia,Peter C. Tyler Org. Biomol. Chem. 2006 4 1131
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Alafia A. Ansari,Y. D. Vankar RSC Adv. 2014 4 12555
186759-56-8 (3,4-Pyrrolidinediol,2-(hydroxymethyl)-, (2R,3R,4S)-rel-) Related Products
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