2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid
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![2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0a27be3bb3184dc8a36abb3eb143d2f2.png "2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid")
2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid
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CAS No:
52154-87-7
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Formula:
C20H25N5O8S
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Chemical Name:
2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid
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Synonyms:
S-cysteinylriboflavin;S-Cysteinylriboflavin;Riboflavin, alpha8-((2-amino-2-carboxyethyl)thio)-, (R)-;52154-87-7
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CAS No:
2-amino-3-[[7-methyl-2,4-dioxo-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-8-yl]methylsulfanyl]propanoic acid Basic Attributes
495.5 g/mol
495.14238395 g/mol
Computed Properties
Molecular Weight:495.5
XLogP3:-5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:495.14238395
Monoisotopic Mass:495.14238395
Topological Polar Surface Area:244
Heavy Atom Count:34
Complexity:870
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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