2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
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![2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f6f9c15a4f2440bd9266c161a398a229.png "2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid")
2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
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CAS No:
91647-48-2
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Formula:
C12H17N5O2S
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Chemical Name:
2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid
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Synonyms:
91647-48-2;2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid;NSC52449;DTXSID10287769;ZINC1684041;NSC-52449;DS-003844;2-((2-Amino-9-isopentyl-9H-purin-6-yl)thio)acetic acid
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CAS No:
2-[2-amino-9-(3-methylbutyl)purin-6-yl]sulfanylacetic acid Basic Attributes
295.36 g/mol
295.11029598 g/mol
52449
DTXSID10287769
Computed Properties
Molecular Weight:295.36
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:295.11029598
Monoisotopic Mass:295.11029598
Topological Polar Surface Area:132
Heavy Atom Count:20
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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