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Home > Encyclopedia > [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate

[10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate

[10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate structure

[10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate 

structure
  • CAS No:

    101760-87-6

  • Formula:

    C28H32N10O15P2S

  • Chemical Name:

    [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate

  • Synonyms:

    6-SCN-FAD;6-thiocyanato-FAD;6-Thiocyanato-fad;6-Scn-fad;101760-87-6;Riboflavin 5'-(trihydrogen diphosphate), 6-thiocyanato-, 5'-5'-ester with adenosine

[10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate Basic Attributes

842.6 g/mol

842.12445552 g/mol

Characteristics

406 Ų

Drug Information

6-SCN-FAD

Computed Properties

Molecular Weight:842.6
XLogP3:-4.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:14
Exact Mass:842.12445552
Monoisotopic Mass:842.12445552
Topological Polar Surface Area:406
Heavy Atom Count:56
Complexity:1730
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate

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