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

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

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

CAS No:
130799-34-7
Formula:
C18H23N6O14P3
Chemical Name:
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
Synonyms:
2'-O-(2-(methylamino)benzoyl)adenosine 5'-(tetrahydrogen triphosphate);2'-O-(N-methylanthraniloyl)ATP;130799-34-7;2'-O-(N-Methylanthraniloyl)ATP;DTXSID20926910;2'-O-(N-Methylanthraniloyl)-ATP;2'-O-(2-(methylamino)benzoyl)adenosine 5'-(tetrahydrogen triphosphate);Adenosine 5'-(tetrahydrogen triphosphate), 2'-(2-(methylamino)benzoate);9-{5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-[2-(methylamino)benzoyl]pentofuranosyl}-9H-purin-6-amine

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[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[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

Characteristics

PSA：

297 Å²

Drug Information

MeSH Entry Terms：

2'-O-(2-(methylamino)benzoyl)adenosine 5'-(tetrahydrogen triphosphate)

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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Hot Searches: coco3; ammonium bicarbonate; butan-2-ol; propenoic acid; sulfur trioxide formula; thiabendazole

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

Basic Attributes
Characteristics
Drug Information
Computed Properties
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