1-Deaza-fmn

[(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate

Also Known As: 1-Deaza-fmn|1-Deaza-1-carba-fmn|1-Deazaflavin mononucleotide|[(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate|1-deoxy-1-(7,8-dimethyl-1,3-dioxo-2,3-dihydropyrido[3,4-b]quinoxalin-5(1h)-yl)-5-o-phosphono-d-ribitol|D-Ribitol, 1-deoxy-1-(2,3-dihydro-7,8-dimethyl-1,3-dioxopyrido(3,4-b)quinoxalin-5(1H)-yl)-, 5-(dihydrogen phosphate)|{[(2R,3S,4S)-5-{7,8-DIMETHYL-1,3-DIOXO-1H,2H,3H,5H-PYRIDO[3,4-B]QUINOXALIN-5-YL}-2,3,4-TRIHYDROXYPENTYL]OXY}PHOSPHONIC ACID|1-[(1,2,3,5-Tetrahydro-1,3-dioxo-7,8-dimethylpyrido[3,4-b]quinoxalin)-5-yl]-1-deoxy-D-ribitol 5-phosphoric acid|1-Deoxy-1-(3-hydroxy-7,8-dimethyl-1-oxopyrido[3,4-b]quinoxalin-5(1H)-yl)-5-O-phosphono-D-ribitol|1-Deoxy-1-(3-hydroxy-7,8-dimethyl-1-oxopyrido[3,4-b]quinoxalin-5(1H)-yl)-5-O-phosphonopentitol

Molecular Formula	C18H22N3O9P
Molecular Weight	455.10938 g/mol
LogP	-2.1
Topological Polar Surface Area	189.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	455.10938
Monoisotopic Mass	455.10938
Heavy Atoms	31
Complexity	841.0

Chemical Identifiers

CAS Number	91061-90-4
SMILES	CC1=CC2=C(C=C1C)N(C3=CC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChIKey	MKGMHXIELMAMOW-VBQJREDUSA-N