 Home > Encyclopedia > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate structure

CAS No:
56164-09-1
Formula:
C17H18N5O8P
Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate
Synonyms:
benzoyl-adenylate;benzoyl-AMP;5'-Benzoylphosphoadenosine;5'-O-[(R)-(Benzoyloxy)(Hydroxy)phosphoryl]adenosine;C06433;benzoyl-AMP;AC1L9AE8;benzoyl adenylate;OOB;Bz-AMP;benzoic acid AMP ester;5'-adenylic acid benzoyl ester;CHEBI:156046;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate;5'-O-[(benzoyloxy)(hydroxy)phosphoryl]adenosine;Q27464157;(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) benzoic anhydride;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] benzoate;56164-09-1

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Description

Benzoyl-AMP is a purine ribonucleoside 5'-monophosphate that is adenosine 5'-monophosphate in which one of the hydroxy groups of the phosphate has been condensed with the carboxylic acid group of benzoic acid. It is a benzoate ester and a purine ribonucleoside 5'-monophosphate. It derives from an adenosine 5'-monophosphate. It is a conjugate acid of a benzoyl-AMP(1-).

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate Basic Attributes

Molecular Weight：

451.3 g/mol

Exact Mass：

451.08929955 g/mol

Characteristics

PSA：

192 Å²

Drug Information

MeSH Entry Terms：

benzoyl-adenylate

Computed Properties

Molecular Weight:451.3
XLogP3:-1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:451.08929955
Monoisotopic Mass:451.08929955
Topological Polar Surface Area:192
Heavy Atom Count:31
Complexity:697
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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