[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
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[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
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CAS No:
76152-01-7
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Formula:
C21H22N5O14P3
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Chemical Name:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate
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Synonyms:
3'-O-naphthoyladenosine 5'-triphosphate;3-NP-ATP;naphthoyl-ATP;76152-01-7;Naphthoyl-ATP;3-NP-ATP;3'-O-Naphthoyladenosine 5'-triphosphate;DTXSID00997502;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate;Adenosine 5'-(tetrahydrogen triphosphate), 3'-(1-naphthalenecarboxylate);9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-(naphthalene-1-carbonyl)pentofuranosyl]-9H-purin-6-amine
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CAS No:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate Basic Attributes
661.3 g/mol
661.03761139 g/mol
Computed Properties
Molecular Weight:661.3
XLogP3:-2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:11
Exact Mass:661.03761139
Monoisotopic Mass:661.03761139
Topological Polar Surface Area:285
Heavy Atom Count:43
Complexity:1160
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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