2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
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![2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f34ce2710bc246279e7ea264f381e7a0.png "2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid")
2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
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CAS No:
28714-80-9
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Formula:
C19H22N4O8
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Chemical Name:
2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
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Synonyms:
3-carboxymethylriboflavin;CM-riboflavin;28714-80-9;3-Carboxymethylriboflavin;CM-Riboflavin;3-(Carboxymethyl)riboflavin;DTXSID40951365;2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid;1-[3-(Carboxymethyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-1-deoxypentitol;Benzo(g)pteridine-3(2H)-acetic acid, 4,10-dihydro-7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-, (2S-(2R*,3R*,4S*))-
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CAS No:
2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid Basic Attributes
434.4 g/mol
434.14376367 g/mol
Computed Properties
Molecular Weight:434.4
XLogP3:-1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:434.14376367
Monoisotopic Mass:434.14376367
Topological Polar Surface Area:184
Heavy Atom Count:31
Complexity:815
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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