2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
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2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
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CAS No:
6165-03-3
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Formula:
C17H18N4O4S
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Chemical Name:
2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
6-benzylthioinosine;NSC26273;6-Benzylthionebularine;MLS002702829;CHEMBL178704;6-Benzylthiopurine ribonucleoside;NSC-26273;6-(benzylsulfanyl)-9-pentofuranosyl-9h-purine;cid_95263
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CAS No:
2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
374.415
374.105
26273
Computed Properties
Molecular Weight:374.4
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:374.10487624
Monoisotopic Mass:374.10487624
Topological Polar Surface Area:139
Heavy Atom Count:26
Complexity:470
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Decarboxylated AdoMet Formula
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2′-Deoxy-6-thioinosine Formula
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Quercetin 3-glucuronide Formula
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Sucrose Structure
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2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
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