5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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![5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5be3831a1fdc42f8a8610bbb7f63300e.png "5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol")
5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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CAS No:
61552-42-9
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Formula:
C14H16N8O5S
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Chemical Name:
5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
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Synonyms:
NSC172614;MLS002702059;61552-41-8;61552-42-9;SCHEMBL13742861;DTXSID40977121;NSC172613;NSC-172613;NCI60_001395;SMR001565630;9-(2-Deoxypentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3,9-dihydro-2H-purin-2-imine;9H-Purin-2-amine, {9-(2-deoxy--D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1} H-imidazol-5-yl)thio\]-;9H-Purin-2-amine, 9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-;9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
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CAS No:
5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol Basic Attributes
408.40 g/mol
408.09643681 g/mol
172614|172613
Computed Properties
Molecular Weight:408.40
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:408.09643681
Monoisotopic Mass:408.09643681
Topological Polar Surface Area:208
Heavy Atom Count:28
Complexity:586
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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