[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
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[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
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CAS No:
130996-25-7
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Formula:
C17H21N6O13P3
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Chemical Name:
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate
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Synonyms:
3'-anthraniloyl-2'-deoxy-ATP;Ant-dATP;ANT-deoxy-ATP;3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE;130996-25-7;Ant-datp;Ant-deoxy-ATP;3'-Anthraniloyl-2'-deoxy-ATP;1lvc;DTXSID00927001;[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate;Q27459674;2'-Deoxyadenosine 3'-(2-aminobenzoate)5'-triphosphoric acid;3'-O-[(2-aminophenyl)carbonyl]-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate);Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, 3'-(2-aminobenzoate);9-[3-O-(2-Aminobenzoyl)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
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CAS No:
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate Basic Attributes
610.3 g/mol
610.03794574 g/mol
Computed Properties
Molecular Weight:610.3
XLogP3:-2.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:11
Exact Mass:610.03794574
Monoisotopic Mass:610.03794574
Topological Polar Surface Area:291
Heavy Atom Count:39
Complexity:1040
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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