(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
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![(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4ae4bdf622c34c6daacc896ef88a0cc7.png "(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid")
(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
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CAS No:
110880-45-0
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Formula:
C15H21N5O4S
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Chemical Name:
(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
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Synonyms:
3-ddAdo-HCY;S-3'-deoxy-3-deazaadenosylhomocysteine;3-Ddado-hcy;S-3'-Deoxy-3-deazaadenosylhomocysteine;110880-45-0;1-[5-C-[(S)-3-[Amino]-3-carboxypropylthio]-3,5-dideoxy-beta-D-ribofuranosyl]-4-amino-1H-imidazo[4,5-c]pyridine
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CAS No:
(2S)-2-amino-4-[[(2S,4R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid Basic Attributes
367.4 g/mol
367.13142534 g/mol
Computed Properties
Molecular Weight:367.4
XLogP3:-3.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:367.13142534
Monoisotopic Mass:367.13142534
Topological Polar Surface Area:175
Heavy Atom Count:25
Complexity:473
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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