Cas no 757235-48-6 (3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5R)-)
757235-48-6 structure
Product Name:3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5R)-
CAS No:757235-48-6
MF:C10H21NO4
MW:219.27804350853
CID:549374
PubChem ID:45093551
Update Time:2025-04-19
3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5R)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5R)-
- 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5R)- (9CI)
- 3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-,(2R,3S,4R,5R)-(9ci)
- 757235-48-6
- SCHEMBL20577242
-
- Inchi： 1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1
- InChI Key： UQRORFVVSGFNRO-DOLQZWNJSA-N
- SMILES： O[C@@H]1[C@@H]([C@@H](CN(CCCC)[C@@H]1CO)O)O
Computed Properties
- Exact Mass: 219.147
- Monoisotopic Mass: 219.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 190
- 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
- Topological Polar Surface Area: 84.2A^2
- XLogP3: -0.6
3,4,5-Piperidinetriol,1-butyl-2-(hydroxymethyl)-, (2R,3S,4R,5R)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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