4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
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![4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2a7935b2d7c64984a44ceaf769df4ee7.png "4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid")
4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
structure -
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CAS No:
72209-16-6
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Formula:
C19H20N5O12P
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Chemical Name:
4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid
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Synonyms:
4-carboxyphenylglyoxal GMP;p-carboxyphenylglyoxal GMP;72209-16-6;4-Carboxyphenylglyoxal GMP;p-Carboxyphenylglyoxal GMP;DTXSID70992943;7-(4-Carboxyphenyl)-6,7-dihydroxy-3-(5-O-phosphonopentofuranosyl)-3,5,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one;Benzoic acid, 4-(4,6,7,9-tetrahydro-6,7-dihydroxy-9-oxo-3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo(1,2-a)purin-7-yl)-
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CAS No:
4-[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6,7-dihydroxy-9-oxo-5,6-dihydroimidazo[1,2-a]purin-7-yl]benzoic acid Basic Attributes
541.4 g/mol
541.08460809 g/mol
Computed Properties
Molecular Weight:541.4
XLogP3:-4.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:6
Exact Mass:541.08460809
Monoisotopic Mass:541.08460809
Topological Polar Surface Area:257
Heavy Atom Count:37
Complexity:1020
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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