Cas no 35919-91-6 (Riboflavin, radicalion(1-))
Riboflavin, radicalion(1-) structure
Product Name:Riboflavin, radicalion(1-)
CAS No:35919-91-6
MF:C17H19N4O6
MW:375.355963945389
CID:309244
PubChem ID:122171
Update Time:2025-04-19
Riboflavin, radicalion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Riboflavin, radicalion(1-)
- Riboflavine semiquinone
- Fad semiquinone
- DTXSID70957335
- Riboflavin semiquinone
- 7,8-dimethyl-4-oxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-2-olate
- Riboflavin, radical ion(1-)
- flavin semiquinone
- 35919-91-6
- 1-Deoxy-1-(7,8-dimethyl-4-oxido-2-oxobenzo[g]pteridin-10(2H)-yl)pentitol
-
- Inchi： 1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1
- InChI Key： AUNGANRZJHBGPY-UHFFFAOYSA-M
- SMILES： OC(C(C(CO)O)O)CN1C2C(C(N=C(N=2)[O-])=O)=NC2C=C(C)C(C)=CC1=2
Computed Properties
- Exact Mass: 375.13045934g/mol
- Monoisotopic Mass: 375.13045934g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 5
- Complexity: 693
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 161?2
Riboflavin, radicalion(1-) Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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