(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid
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![(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/71c5de23c89b4d81bcaeee5bdad408e2.png "(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid")
(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid
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CAS No:
132603-04-4
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Formula:
C11H14N6O4S
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Chemical Name:
(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid
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Synonyms:
2-methylthio-N(6)-(N-threonylcarbonyl)adenine;mS(2)tc(6)Ade;2-Methylthio-N(6)-(N-threonylcarbonyl)adenine;132603-04-4;mS(2)tc(6)Ade;DTXSID10157655;L-Threonine, N-(((2-(methylthio)-1H-purin-6-yl)amino)carbonyl)-
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CAS No:
(2R,3S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid Basic Attributes
326.33 g/mol
326.07972412 g/mol
DTXSID10157655
Computed Properties
Molecular Weight:326.33
XLogP3:-0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:326.07972412
Monoisotopic Mass:326.07972412
Topological Polar Surface Area:178
Heavy Atom Count:22
Complexity:427
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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