Cas no 52019-89-3 (1,4-dideoxy-1,4-imino-d-xylitol hydrochloride)
52019-89-3 structure
Product Name:1,4-dideoxy-1,4-imino-d-xylitol hydrochloride
CAS No:52019-89-3
MF:C5H12ClNO3
MW:169.606680870056
CID:936250
PubChem ID:13784504
Update Time:2025-04-19
1,4-dideoxy-1,4-imino-d-xylitol hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1,4-dideoxy-1,4-imino-d-xylitol hydrochloride
- 1,4-DIDEOXY-1,4-IMINO-D-XYLITOL
- PZGVJCJRMKIVLJ-UZKLXKKNSA-N
- 186759-56-8
- (2R,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
- (2R,3S,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol hydrochloride
- (2R,3S,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diolhydrochloride
- 101399-04-6
- SCHEMBL2562496
- 52019-89-3
- W-202962
-
- 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: 169.05100
- 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
- Topological Polar Surface Area: 72.7?2
Experimental Properties
- PSA: 72.72000
- LogP: -1.19690
1,4-dideoxy-1,4-imino-d-xylitol hydrochloride Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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