[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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[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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CAS No:
101760-87-6
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Formula:
C28H32N10O15P2S
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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
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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
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CAS No:
[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
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
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