(2S)-2-amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxyphosphoryl]oxyethyl]sulfanylbutanoic acid
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![(2S)-2-amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxyphosphoryl]oxyethyl]sulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b6d20f3bf3b545909aadba24e189df7d.png "(2S)-2-amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxyphosphoryl]oxyethyl]sulfanylbutanoic acid")
(2S)-2-amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxyphosphoryl]oxyethyl]sulfanylbutanoic acid
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CAS No:
109214-84-8
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Formula:
C15H26N7O14P3S
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Chemical Name:
(2S)-2-amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxyphosphoryl]oxyethyl]sulfanylbutanoic acid
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Synonyms:
5'-((homocysteinyl)methyl)adenosine 5'-(beta,gamma-imidotriphosphate);5'-((homocysteinyl)methyl)adenosine 5'-(beta,gamma-imidotriphosphate), tetrasodium salt;5'-HCMAIT;5'-Hcmait;109214-84-8;5'-((Homocysteinyl)methyl)adenosine 5'-(beta,gamma-imidotriphosphate)
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CAS No:
(2S)-2-amino-4-[(2R)-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[hydroxy-[hydroxy-(phosphonoamino)phosphoryl]oxyphosphoryl]oxyethyl]sulfanylbutanoic acid Basic Attributes
653.4 g/mol
653.04713070 g/mol
Computed Properties
Molecular Weight:653.4
XLogP3:-7.7
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:14
Exact Mass:653.04713070
Monoisotopic Mass:653.04713070
Topological Polar Surface Area:371
Heavy Atom Count:40
Complexity:1040
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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