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3031-94-5

3031-94-5 structural image
Product Name: 5'-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5'-MONOPHOSPHATE
Formula: C9H15N4O8P
Synonyms: AICAR monophosphate;AICA-Ribotide, AICAr Monophosphate, ZMP, AMPK Signaling Activator IV;N1-(β-D-5′-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide;ZMP
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 171.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 338.21 g/mol
XLogP3 -3.8
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 338.06275045 g/mol
Monoisotopic Mass 338.06275045 g/mol
Topological Polar Surface Area 203 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 475
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

AICA ribonucleotide is a 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. It has a role as a cardiovascular drug, a plant metabolite, a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a 1-(phosphoribosyl)imidazolecarboxamide and an aminoimidazole. It is functionally related to an acadesine. It is a conjugate acid of a 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-).