N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid
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![N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/67b4cb254ddf42bcbc7c7e0f0b780215.png "N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid")
N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid
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CAS No:
69564-70-1
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Formula:
C20H30ClN4O13P3
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Chemical Name:
N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid
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Synonyms:
4-(N-(2-chloroethyl)-N-methylamino)benzyl-gamma-amide dTTP;CEMABGA-dTTP;dTTP gamma-4-(N-2-chloroethyl-N-methylamino)benzylamidate;69564-70-1;Cemabga-dttp;Dttp gamma-4-(N-2-chloroethyl-N-methylamino)benzylamidate;DTXSID60989600;4-(N-(2-Chloroethyl)-N-methylamino)benzyl-gamma-amide dttp;N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid;1-{5-O-[{[({[({4-[(2-Chloroethyl)(methyl)amino]phenyl}methyl)amino](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one;Thymidine 5'-(trihydrogen diphosphate) P'-anhydride with ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidic acid
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CAS No:
N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]-[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphonamidic acid Basic Attributes
662.8 g/mol
662.0710757 g/mol
Computed Properties
Molecular Weight:662.8
XLogP3:-2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:14
Exact Mass:662.0710757
Monoisotopic Mass:662.0710757
Topological Polar Surface Area:234
Heavy Atom Count:41
Complexity:1140
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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