Cas no 104195-23-5 (Piperidinium,3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethyl-, [2R-(2a,3b,4a,5b)]- (9CI))
![Piperidinium,3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethyl-, [2R-(2a,3b,4a,5b)]- (9CI) structure](https://ossimg.kuujia.com/scimg/104500/104195-23-5x500.png)
104195-23-5 structure
Product Name:Piperidinium,3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethyl-, [2R-(2a,3b,4a,5b)]- (9CI)
CAS No:104195-23-5
MF:C8H18NO4
MW:192.23282289505
CID:144239
PubChem ID:128504
Update Time:2025-04-19
Piperidinium,3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethyl-, [2R-(2a,3b,4a,5b)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperidinium,3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethyl-, [2R-(2a,3b,4a,5b)]- (9CI)
- (2R,3R,4R,5S)-2-(hydroxymethyl)-1,1-dimethylpiperidin-1-ium-3,4,5-triol
- N,N-dimethyldeoxynojirimycin
- (2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethylpiperidinium
- N,N-Dmdn
- N,N-dimethyldeoxy-nojirimycin
- 104195-23-5
- DTXSID20146338
-
- Inchi： 1S/C8H18NO4/c1-9(2)3-6(11)8(13)7(12)5(9)4-10/h5-8,10-13H,3-4H2,1-2H3/q+1/t5-,6+,7-,8-/m1/s1
- InChI Key： RPDFLURSXKOUMG-ULAWRXDQSA-N
- SMILES： O[C@H]1[C@@H]([C@H](C[N+](C)(C)[C@@H]1CO)O)O
Computed Properties
- Exact Mass: 192.12364
- Monoisotopic Mass: 192.123583
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 1
- Tautomer Count: nothing
- XLogP3: -1.9
- Topological Polar Surface Area: 80.9
Experimental Properties
- PSA: 80.92
- LogP: -2.52120
Piperidinium,3,4,5-trihydroxy-2-(hydroxymethyl)-1,1-dimethyl-, [2R-(2a,3b,4a,5b)]- (9CI) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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