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78686-01-8 | 1 beta-D-ribofuranosylpyridin-4-one 3-carboxamide
CAS No: 78686-01-8 Catalog No: AG00GCSA MDL No:
Product Description
Catalog Number:
AG00GCSA
Chemical Name:
1 beta-D-ribofuranosylpyridin-4-one 3-carboxamide
CAS Number:
78686-01-8
IUPAC Name:
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5,5-trihydroxypyridine-4-carboxamide
InChI:
InChI=1S/C11H16N2O8/c12-9(17)4-1-10(18,13-3-11(4,19)20)8-7(16)6(15)5(2-14)21-8/h1,3,5-8,14-16,18-20H,2H2,(H2,12,17)/t5-,6-,7-,8-,10?/m1/s1
InChI Key:
RVTJMJBQQGMKMT-OXNFMAJFSA-N
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
304.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
304.255g/mol
Monoisotopic Mass:
304.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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