8alpha-N-Imidazolylriboflavin structure

8alpha-N-Imidazolylriboflavin

8-(imidazol-1-ylmethyl)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione

Also Known As: 8alpha-N-Imidazolylriboflavin|8-(imidazol-1-ylmethyl)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione|1-deoxy-1-[8-(1h-imidazol-1-ylmethyl)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]pentitol|1-Deoxy-1-{4-hydroxy-8-[(1H-imidazol-1-yl)methyl]-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl}pentitol

CAS: 5340-10-3
Molecular Formula C20H22N6O6
Molecular Weight 442.1601 g/mol
LogP -2.1
Topological Polar Surface Area 173.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 442.1601
Monoisotopic Mass 442.1601
Heavy Atoms 32
Complexity 805.0

Chemical Identifiers

CAS Number 5340-10-3
SMILES CC1=CC2=C(C=C1CN3C=CN=C3)N(C4=NC(=O)NC(=O)C4=N2)CC(C(C(CO)O)O)O
InChIKey DHXRMZOOMZIPOH-UHFFFAOYSA-N

Product Overview

8alpha-N-Imidazolylriboflavin (CAS 5340-10-3), with molecular formula C20H22N6O6 and molecular weight 442.1601 g/mol. IUPAC: 8-(imidazol-1-ylmethyl)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione.

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