2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid;trihydrate
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![2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid;trihydrate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/96296650fa3b46f697ecc283f38f6841.png "2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid;trihydrate")
2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid;trihydrate
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CAS No:
63717-24-8
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Formula:
C10H36N4O11P2S2
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Chemical Name:
2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid;trihydrate
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Synonyms:
63717-24-8;S-2-(3-Amino-2-hydroxypropylamino)ethyl dihydrogen phosphorothioate sesquihydrate;Phosphorothioic acid, S-((2-(3-amino-2-hydroxy)propylamino)ethyl) ester, sesquihydrate;DTXSID30980149;S-{2-[(3-Amino-2-hydroxypropyl)amino]ethyl} dihydrogen phosphorothioate--water (2/3)
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CAS No:
2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid;trihydrate Basic Attributes
514.5 g/mol
514.12972432 g/mol
Computed Properties
Molecular Weight:514.5
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:14
Exact Mass:514.12972432
Monoisotopic Mass:514.12972432
Topological Polar Surface Area:285
Heavy Atom Count:29
Complexity:176
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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