[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
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![[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7bc9c08dfc73435e90ac83275c8ea2cb.png "[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate")
[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
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CAS No:
51640-19-8
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Formula:
C16H17N6O17P3S
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Chemical Name:
[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
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Synonyms:
(S-dinitrophenyl)-6-mercaptopurine riboside triphosphate;DMRT;51640-19-8;DMRT;(S-Dinitrophenyl)-6-mercaptopurine riboside triphosphate;DTXSID20965945;[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;9-(5-Deoxypentofuranosyl)-2-[(2,4-dinitrophenyl)sulfanyl]-6-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]-9H-purine;9H-Purine, 6-((2,4-dinitrophenyl)thio)-9-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-ribofuranosyl)-
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CAS No:
[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Basic Attributes
690.3 g/mol
689.95837526 g/mol
Computed Properties
Molecular Weight:690.3
XLogP3:-2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:9
Exact Mass:689.95837526
Monoisotopic Mass:689.95837526
Topological Polar Surface Area:370
Heavy Atom Count:43
Complexity:1210
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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