3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-yl]oxyphosphoryl]oxypropanenitrile
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![3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-yl]oxyphosphoryl]oxypropanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/234358b1614c4553b15b849853eb05d0.png "3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-yl]oxyphosphoryl]oxypropanenitrile")
3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-yl]oxyphosphoryl]oxypropanenitrile
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CAS No:
114155-97-4
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Formula:
C38H41N6O6P
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Chemical Name:
3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-yl]oxyphosphoryl]oxypropanenitrile
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Synonyms:
3'-O-((N,N-diisopropylamino)(2-cyanoethoxy)phosphinyl)-5'-O-(9-phenylxanthen-9-yl)-2'-deoxynebularine;DCPPXN;Dcppxn;114155-97-4;DTXSID90921290;3'-O-((N,N-Diisopropylamino)(2-cyanoethoxy)phosphinyl)-5'-O-(9-phenylxanthen-9-yl)-2'-deoxynebularine;9-[3-O-{(2-Cyanoethoxy)[di(propan-2-yl)amino]phosphoryl}-2-deoxy-5-O-(9-phenyl-9H-xanthen-9-yl)pentofuranosyl]-9H-purine
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CAS No:
3-[[di(propan-2-yl)amino]-[(2R,3S,5R)-2-[(9-phenylxanthen-9-yl)oxymethyl]-5-purin-9-yloxolan-3-yl]oxyphosphoryl]oxypropanenitrile Basic Attributes
708.7 g/mol
708.28252005 g/mol
Drug Information
3'-O-((N,N-diisopropylamino)(2-cyanoethoxy)phosphinyl)-5'-O-(9-phenylxanthen-9-yl)-2'-deoxynebularine
Computed Properties
Molecular Weight:708.7
XLogP3:5.1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:708.28252005
Monoisotopic Mass:708.28252005
Topological Polar Surface Area:134
Heavy Atom Count:51
Complexity:1210
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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