1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione
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![1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4f55d7bacc294fe5902211c6748461f9.png "1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione")
1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione
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CAS No:
124357-34-2
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Formula:
C14H15BrN5O8PS
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Chemical Name:
1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione
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Synonyms:
8-((4-bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate;8-BDB-TcAMP;124357-34-2;8-Bdb-tcamp;8-((4-Bromo-2,3-dioxobutyl)thio)adenosine cyclic 3',5'-(hydrogen phosphate);DTXSID10924788;8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate;1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione;Adenosine, 8-((4-bromo-2,3-dioxobutyl)thio)-, cyclic 3',5'-(hydrogen phosphate);1-((6-Amino-9-((4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-8-yl)thio)-4-bromobutane-2,3-dione;1-{[6-Amino-9-(2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-9H-purin-8-yl]sulfanyl}-4-bromobutane-2,3-dione
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CAS No:
1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione Basic Attributes
524.24 g/mol
522.95623 g/mol
Computed Properties
Molecular Weight:524.24
XLogP3:-1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:522.95623
Monoisotopic Mass:522.95623
Topological Polar Surface Area:214
Heavy Atom Count:30
Complexity:753
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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