[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
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![[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5b2f9824ec7d4321ac3e10a6c017484a.png "[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate")
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
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CAS No:
65199-10-2
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Formula:
C17H18N5O9PS
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Chemical Name:
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
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Synonyms:
NBMPR-P;nitrobenzylthioinosine 5'-monophosphate;nitrobenzylthioinosine 5'-monophosphate, monoammonium salt;65199-10-2;6-S-((4-Nitrophenyl)methyl)-6-thio-5'-inosinic acid;DTXSID20983780;Nitrobenzylthioinosine 5'-phosphate;ZINC17120952;5'-Inosinic acid, 6-S-((4-nitrophenyl)methyl)-6-thio-;6-{[(4-Nitrophenyl)methyl]sulfanyl}-9-(5-O-phosphonopentofuranosyl)-9H-purine;9H-Purine, 6-(((4-nitrophenyl)methyl)thio)-9-(5-O-phosphono-beta-D-ribofuranosyl)-;((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((4-nitrobenzyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
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CAS No:
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate Basic Attributes
499.4 g/mol
499.05628534 g/mol
Computed Properties
Molecular Weight:499.4
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:499.05628534
Monoisotopic Mass:499.05628534
Topological Polar Surface Area:231
Heavy Atom Count:33
Complexity:736
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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