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Home > Encyclopedia > [5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate

[5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate

[5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate structure

[5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate 

structure
  • CAS No:

    36408-16-9

  • Formula:

    C18H22N3O9P

  • Chemical Name:

    [5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate

  • Synonyms:

    5-deaza-FMN;5-deazariboflavin-5'-phosphate;deazaFMN;5-Deaza-fmn;36408-16-9;Deazafmn;5-Deazariboflavin-5'-phosphate;NSC 168199;DTXSID30957755;D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido(4,5-b)quinolin-10(2H)-yl)-, 5-(dihydrogen phosphate);NSC168199;NSC-168199;[5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxopyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphonopentitol

[5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate Basic Attributes

455.4 g/mol

455.10936629 g/mol

168199

Characteristics

189 Ų

Drug Information

5-deaza-FMN

Computed Properties

Molecular Weight:455.4
XLogP3:-2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:455.10936629
Monoisotopic Mass:455.10936629
Topological Polar Surface Area:189
Heavy Atom Count:31
Complexity:841
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [5-(7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate

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