Cas no 117821-10-0 (3,4,5-Piperidinetriol,1,2-dimethyl-, (2S,3R,4S,5R)-)
117821-10-0 structure
Product Name:3,4,5-Piperidinetriol,1,2-dimethyl-, (2S,3R,4S,5R)-
CAS No:117821-10-0
MF:C7H15NO3
MW:161.198902368546
CID:177778
PubChem ID:452005
Update Time:2025-04-19
3,4,5-Piperidinetriol,1,2-dimethyl-, (2S,3R,4S,5R)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-Piperidinetriol,1,2-dimethyl-, (2S,3R,4S,5R)-
- (2S,3R,4S,5R)-1,2-dimethylpiperidine-3,4,5-triol
- N-Methyl-1,5-dideoxy-1,5-imino-L-fucitol
- MeFT
- 3,4,5-Piperidinetriol, 1,2-dimethyl-, [2S-(2a,3a,4a,5b)]-
- 3,4,5-Piperidinetriol, 1,2-dimethyl-, (2S-(2alpha,3alpha,4alpha,5beta))-
- DTXSID90151919
- SCHEMBL9495730
- 117821-10-0
-
- Inchi： 1S/C7H15NO3/c1-4-6(10)7(11)5(9)3-8(4)2/h4-7,9-11H,3H2,1-2H3/t4-,5+,6+,7-/m0/s1
- InChI Key： ARIAWFPKUVJPLU-WNJXEPBRSA-N
- SMILES： O[C@H]1[C@H]([C@@H](CN(C)[C@H]1C)O)O
Computed Properties
- Exact Mass: 161.10525
- Monoisotopic Mass: 161.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 142
- 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
- XLogP3: -1.4
- Topological Polar Surface Area: 63.9?2
Experimental Properties
- PSA: 63.93
3,4,5-Piperidinetriol,1,2-dimethyl-, (2S,3R,4S,5R)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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