Cas no 125711-55-9 (beta-D-homofuconojirimycin)
beta-D-homofuconojirimycin structure
Product Name:beta-D-homofuconojirimycin
CAS No:125711-55-9
MF:C7H15NO4
MW:177.198302507401
CID:2021428
Update Time:2025-04-21
beta-D-homofuconojirimycin Chemical and Physical Properties
Names and Identifiers
-
- beta-D-homofuconojirimycin
- beta-homofuconojirimycin
- beta-L-homofuconojirimycin
- (-)-7-Deoxyhomomannojirimycin
- (+)-alpha-7-Deoxyhomonojirimycin
- alpha-7-Deoxyhomonojirimycin
-
- Inchi: 1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3
- InChI Key: ZEWFPWKROPWRKE-UHFFFAOYSA-N
- SMILES: CC1C(O)C(O)C(O)C(CO)N1
Computed Properties
- Exact Mass: 177.1
- Monoisotopic Mass: 177.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.469
beta-D-homofuconojirimycin Related Literature
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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