3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid
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![3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2ca00c32fa334198ba1a790be30526d5.png "3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid")
3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid
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CAS No:
88623-79-4
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Formula:
C20H22N4O9
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Chemical Name:
3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid
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Synonyms:
5'-malonylriboflavin;F1-X chromophore;5'-Malonylriboflavin;F1-X Chromophore;88623-79-4;SCHEMBL4637707;DTXSID30237206;Riboflavin, 5'-(hydrogen propanedioate)
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CAS No:
3-[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-3-oxopropanoic acid Basic Attributes
462.4 g/mol
462.13867829 g/mol
DTXSID30237206
Computed Properties
Molecular Weight:462.4
XLogP3:-1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:462.13867829
Monoisotopic Mass:462.13867829
Topological Polar Surface Area:198
Heavy Atom Count:33
Complexity:889
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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