2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/051e3e30bca547539f95be71997397c3.png "2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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CAS No:
13153-27-0
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Formula:
C17H18N6O6S
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Chemical Name:
2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
2-amino-6-((4-nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine;6-(4-nitrobenzylthio)guanosine;6-(p-nitrobenzylthio)guanosine;NBTGR;NBTGR;p-NBTGR;MLS000579186;13153-27-0;2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;SMR000186772;Opera_ID_25;Oprea1_471365;CHEMBL342033;SCHEMBL20579724;HMS2529G16;HMS3746G19;NSC49813;NSC-49813;9H-Purin-2-amine, 6-[[(4-nitrophenyl)methyl]thio]-9-.beta.-D-ribofuranosyl-;AKOS000656363;MCULE-5340139540;DB-042039;FT-0636816;AB00549659-08;2-{2-amino-6-[(4-nitrobenzyl)thio]-9H-purin-9-yl}-5-(hydroxymethyl)tetrahydro-3,4-furandiol (non-preferred name)
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CAS No:
2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
434.4 g/mol
434.10085349 g/mol
Computed Properties
Molecular Weight:434.4
XLogP3:1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:434.10085349
Monoisotopic Mass:434.10085349
Topological Polar Surface Area:211
Heavy Atom Count:30
Complexity:608
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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