Cas no 158341-94-7 (3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)-)
158341-94-7 structure
Product Name:3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)-
CAS No:158341-94-7
MF:C6H13NO4
MW:163.171722173691
CID:1336086
PubChem ID:10329607
Update Time:2025-04-20
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)-
- (2R,3R,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
- (2R,3R,4S,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol
- DTXSID70438134
- CHEMBL176206
- 158341-94-7
- SCHEMBL1527007
- BDBM50163442
-
- Inchi： 1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
- InChI Key： LXBIFEVIBLOUGU-UHFFFAOYSA-N
- SMILES： OCC1C(O)C(O)C(O)CN1
Computed Properties
- Exact Mass: 163.08449
- Monoisotopic Mass: 163.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 132
- 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: -2.3
- Topological Polar Surface Area: 93?2
Experimental Properties
- PSA: 92.95
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4S,5S)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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