(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid
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![(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d210967c45c1400999f68c6b753a5d5a.png "(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid")
(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid
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CAS No:
66723-09-9
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Formula:
C13H19N5O12P2
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Chemical Name:
(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid
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Synonyms:
adenylophosphonopropionate;N(6)(Dl-1-carboxy-2-phosphonethyl)adenosine 5'-monophosphate;66723-09-9;Adenylophosphonopropionate;DTXSID80985285;N(6)(Dl-1-Carboxy-2-phosphonethyl)adenosine 5'-monophosphate;3-Phosphono-N-[9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]alanine;DL-Alanine, 3-phosphono-N-(9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)-;(R)-2-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-((phosphonooxy)methyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-3-phosphonopropanoic acid
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CAS No:
(2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phosphonopropanoic acid Basic Attributes
499.26 g/mol
499.05054505 g/mol
Computed Properties
Molecular Weight:499.26
XLogP3:-4.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:9
Exact Mass:499.05054505
Monoisotopic Mass:499.05054505
Topological Polar Surface Area:267
Heavy Atom Count:32
Complexity:780
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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