 Home > Encyclopedia > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate structure

CAS No:
85287-56-5
Formula:
C18H23N6O14P3
Chemical Name:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
Synonyms:
3'-O-(N-methylanthraniloyl) ATP;MANT-ATP;mantATP;Mant-ATP;3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE);3'-O-(N-methylanthraniloyl) ATP;CHEMBL254869;85287-56-5;21H,23H-Porphine-2,18-dipropanoic acid, 3,7,13,17-tetramethyl-;Adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-(methylamino)benzoate);MantATP;3'-O-N-Methylanthraniloyl-ATP;SCHEMBL15772869;DTXSID70234491;CHEMID085287565;2'(3')-O-(N-METHYLANTHRANILOYL)-ADENOSINE 5'-TRIPHOSPHATE;BDBM50206817;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate;Q27464150;adenosine, 3'-[2-(methylamino)benzoate] 5'-(tetrahydrogen triphosphate);3''-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5''-(TETRAHYDROGEN TRIPHOSPHATE);3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(tetrahydrogen triphosphate);Adenosine 5'-(tetrahydrogen triphosphate), 3'-[2-(methylamino)benzoate] (9CI);(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-((hydroxy(hydroxy(phosphonooxy)phosphoryloxy)phosphoryloxy)methyl)tetrahydrofuran-3-yl 2-(methylamino)benzoate
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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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] 2-(methylamino)benzoate Basic Attributes

Molecular Weight：

640.3 g/mol

Exact Mass：

640.04851042 g/mol

DSSTox ID：

DTXSID70234491

Characteristics

PSA：

297 Å²

Drug Information

MeSH：

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags. (See all compounds classified as Fluorescent Dyes.)|Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)

MeSH Entry Terms：

3'-O-(N-methylanthraniloyl) ATP

Computed Properties

Molecular Weight:640.3
XLogP3:-2.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:12
Exact Mass:640.04851042
Monoisotopic Mass:640.04851042
Topological Polar Surface Area:297
Heavy Atom Count:41
Complexity:1090
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3'-O-(N-methylanthraniloyl) ATP.

CAS No.: 85287-56-5

Content: 98%

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Guide of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate

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