2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid
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![2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e116b4bc5d9c4194b22ccc94a9fd56d7.png "2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid")
2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid
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CAS No:
76496-81-6
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Formula:
C15H22N6O6S
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Chemical Name:
2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid
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Synonyms:
76496-81-6;NSC310813;2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid;DTXSID90317098;NSC-310813
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CAS No:
2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid Basic Attributes
414.4 g/mol
414.13215362 g/mol
310813
DTXSID90317098
Computed Properties
Molecular Weight:414.4
XLogP3:-2.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:414.13215362
Monoisotopic Mass:414.13215362
Topological Polar Surface Area:214
Heavy Atom Count:28
Complexity:535
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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