Cas no 2627-70-5 (1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)-)
2627-70-5 structure
Product Name:1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)-
CAS No:2627-70-5
MF:C6H10N2O3
MW:158.155201435089
CID:237795
PubChem ID:71356420
Update Time:2025-04-19
1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)-
- 1-(1H-imidazol-5-yl)propane-1,2,3-triol
- DTXSID00780557
- 2627-70-5
-
- Inchi： 1S/C6H10N2O3/c9-2-5(10)6(11)4-1-7-3-8-4/h1,3,5-6,9-11H,2H2,(H,7,8)
- InChI Key： ABDKJICLXDSVKH-UHFFFAOYSA-N
- SMILES： OC(C1=CN=CN1)C(CO)O
Computed Properties
- Exact Mass: 158.06914219g/mol
- Monoisotopic Mass: 158.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.1
- Topological Polar Surface Area: 89.4?2
1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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