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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    97423-58-0

  • Formula:

    C23H30N5O12P

  • 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

  • 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

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

Characteristics

226 Ų

Drug Information

thymidylyl(3'-5')thymidine cyanoethyl ester

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

Guide of 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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