3031-94-5
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
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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-).