Cas no 78686-01-8 (3-Pyridinecarboxamide,1,4-dihydro-4-oxo-1-b-D-ribofuranosyl-)
78686-01-8 structure
Product Name:3-Pyridinecarboxamide,1,4-dihydro-4-oxo-1-b-D-ribofuranosyl-
CAS No:78686-01-8
MF:C11H14N2O6
MW:270.238663196564
CID:564358
Update Time:2024-03-01
3-Pyridinecarboxamide,1,4-dihydro-4-oxo-1-b-D-ribofuranosyl- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarboxamide,1,4-dihydro-4-oxo-1-b-D-ribofuranosyl-
- Nicotinamide,1,4-dihydro-4-oxo-1-b-D-ribofuranosyl- (7CI)
- 1 beta-D-ribofuranosylpyridin-4-one 3-carboxamide
- 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5,5-trihydroxypyridine-4-carboxamide
- 3-Pyridinecarboxamide, 1,4-dihydro-4-oxo-1-β-D-ribofuranosyl-
-
- Inchi： 1S/C11H14N2O6/c12-10(18)5-3-13(2-1-6(5)15)11-9(17)8(16)7(4-14)19-11/h1-3,7-9,11,14,16-17H,4H2,(H2,12,18)/t7-,8-,9-,11-/m1/s1
- InChI Key： MNWCUETVRXKWHC-TURQNECASA-N
- SMILES： O[C@@H]1[C@@H]([C@@H](CO)O[C@H]1N1C=CC(=O)C(C(=O)N)=C1)O
Computed Properties
- Exact Mass: 381.134301
- Monoisotopic Mass: 381.134301
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 423
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.2
Experimental Properties
- Density: 1.658±0.06 g/cm3(Predicted)
- Melting Point: 211-212 °C(Solv: ethanol (64-17-5))
- Boiling Point: 629.5±55.0 °C(Predicted)
- pka: 12.93±0.20(Predicted)
3-Pyridinecarboxamide,1,4-dihydro-4-oxo-1-b-D-ribofuranosyl- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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