3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile
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3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile
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CAS No:
97423-58-0
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Formula:
C23H30N5O12P
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Chemical Name:
3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile
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Synonyms:
thymidylyl(3'-5')thymidine cyanoethyl ester;TPCET;TPCET;3-{[10-hydroxy-3-(hydroxymethyl)-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-6-yl]oxy}propanenitrile;Thymidylyl(3'-5')thymidine cyanoethyl ester;97423-58-0
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CAS No:
3-[[23-hydroxy-16-(hydroxymethyl)-6,9-dimethyl-3,5,10,12,19-pentaoxo-15,18,20,25-tetraoxa-2,4,11,13-tetraza-19λ5-phosphahexacyclo[20.2.1.114,17.02,7.06,9.08,13]hexacosan-19-yl]oxy]propanenitrile Basic Attributes
599.5 g/mol
599.16285841 g/mol
Computed Properties
Molecular Weight:599.5
XLogP3:-3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:4
Exact Mass:599.16285841
Monoisotopic Mass:599.16285841
Topological Polar Surface Area:226
Heavy Atom Count:41
Complexity:1290
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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