(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a3b495b78f9e4bbb98b1be1a9c91accc.png "(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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CAS No:
41094-07-9
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Formula:
C17H18N6O7S
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Chemical Name:
(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
2-hydroxy-5-nitrobenzyl-6-thioguanosine;2-hydroxy-5-nitrobenzylthioguanosine;HNBTG;hydroxynitrobenzoylthioguanosine;S-(2-Hydroxy-5-nitrobenzyl)-6-thioguanosine;41094-07-9;CHEMBL260688;(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;S-(2-Hydroxy-5-nitrobenzoyl)-6-thioguanosine;HNBTG;Hydroxynitrobenzoylthioguanosine;2-Hydroxy-5-nitrobenzylthioguanosine;2-Hydroxy-5-nitrobenzyl-6-thioguanosine;SCHEMBL4351105;DTXSID70961437;BDBM50412033;MFCD00055996;PDSP1_001013;PDSP2_000997;ZINC29059342;s6-(2-hydroxy-5-nitrobenzyl)-6-thioguanosine;2-Amino-6-[(2-hydroxy-5-nitrobenzyl)thio]-9-beta-D-ribofuranosylpurine;Phenol, 2-(((2-amino-9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)methyl)-4-nitro-;(2R,3R,4S,5R)-2-(2-Amino-6-((2-hydroxy-5-nitrobenzyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;(2R,3R,4S,5R)-2-(2-amino-6-(2-hydroxy-5-nitrobenzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;6-{[(2-Hydroxy-5-nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-3,9-dihydro-2H-purin-2-imine
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CAS No:
(2R,3R,4S,5R)-2-[2-amino-6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
450.4 g/mol
450.09576811 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:450.4
XLogP3:0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:450.09576811
Monoisotopic Mass:450.09576811
Topological Polar Surface Area:231
Heavy Atom Count:31
Complexity:647
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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