[[(2S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]amino]-[bis(2-chloroethyl)amino]phosphinic acid
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![[[(2S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]amino]-[bis(2-chloroethyl)amino]phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ef26f7d568194db498711380334bb260.png "[[(2S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]amino]-[bis(2-chloroethyl)amino]phosphinic acid")
[[(2S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]amino]-[bis(2-chloroethyl)amino]phosphinic acid
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CAS No:
70894-64-3
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Formula:
C14H20Cl2N7O4P
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Chemical Name:
[[(2S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]amino]-[bis(2-chloroethyl)amino]phosphinic acid
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Synonyms:
2',3'-bis(2-chloroethyl)aminophosphoryl-3'-amino-3'-deoxyadenosine;2',3'-bis(2-chloroethyl)aminophosphoryl-3'-amino-3'-deoxyadenosine, (R)-isomer;70894-64-3;DTXSID60991182;2',3'-Bis(2-chloroethyl)aminophosphoryl-3'-amino-3'-deoxyadenosine;Adenosine, 3'-(((bis(2-chloroethyl)amino)hydroxyphosphinyl)amino)-3'-deoxy-, intramol. 3',2'-ester, (S)-;N'-[5-(6-Amino-9H-purin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]-N,N-bis(2-chloroethyl)phosphorodiamidic acid
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CAS No:
[[(2S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-yl]amino]-[bis(2-chloroethyl)amino]phosphinic acid Basic Attributes
452.2 g/mol
451.0691445 g/mol
Computed Properties
Molecular Weight:452.2
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:451.0691445
Monoisotopic Mass:451.0691445
Topological Polar Surface Area:152
Heavy Atom Count:28
Complexity:612
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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