3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid
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![3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/49d12cdd8e944f368418b12fdfc19ec1.png "3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid")
3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid
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CAS No:
73095-00-8
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Formula:
C13H18N5O8P
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Chemical Name:
3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid
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Synonyms:
1-(2-carboxyethyl)deoxyadenosine 5'-monophosphate;1-CEDAM;73095-00-8;1-Cedam;1-(2-Carboxyethyl)deoxyadenosine 5'-monophosphate;DTXSID30993850;1-(2-Carboxyethyl)-9-(2-deoxy-5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-imine;1H-Purine-1-propanoic acid, 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,9-dihydro-6-imino-
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CAS No:
3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid Basic Attributes
403.28 g/mol
403.08929955 g/mol
Computed Properties
Molecular Weight:403.28
XLogP3:-3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:403.08929955
Monoisotopic Mass:403.08929955
Topological Polar Surface Area:191
Heavy Atom Count:27
Complexity:671
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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