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67583-85-1

67583-85-1 structural image
Product Name: ADENYLIC ACID
Formula: C20H28N10O14P2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form CRYSTALS FROM WATER + ACETONE
Melting Point 195 dec °C
Solubility 10000 mg/L (at 20 °C)
LogP -3.1
Stability/Shelf Life FREE ACID & ITS SALTS ARE STABLE FOR LONG PERIODS IN DRY STATE; NEUTRAL SOLN ARE ALSO STABLE
Optical Rotation SPECIFIC OPTICAL ROTATION: -26 DEG @ 20 °C/D (C= 2, 10% HCL); & -47.5 DEG @ 20 °C/D (C= 2, 2% NAOH)
Dissociation Constants PK1= 3.8; PK2= 6.2
Collision Cross Section 171.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Other Experimental Properties MOLAR ABSORBANCY= 15400 @ 259 NM (PH 7.0); READILY DEAMINATED BY NITROUS ACID TO FORM INOSINIC ACID; LESS RAPIDLY HYDROLYZED THAN 3'-ADENYLIC ACID BY SULFURIC ACID

COMPUTED DESCRIPTORS

Molecular Weight 347.22 g/mol
XLogP3 -3.5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 4
Exact Mass 347.06308480 g/mol
Monoisotopic Mass 347.06308480 g/mol
Topological Polar Surface Area 186 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 481
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

Adenosine 5'-monophosphate is a purine ribonucleoside 5'-monophosphate having adenine as the nucleobase. It has a role as an EC 3.1.3.11 (fructose-bisphosphatase) inhibitor, an EC 3.1.3.1 (alkaline phosphatase) inhibitor, an adenosine A1 receptor agonist, a nutraceutical, a micronutrient, a fundamental metabolite and a cofactor. It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-monophosphate. It is a conjugate base of an adenosine 5'-monophosphate(1+). It is a conjugate acid of an adenosine 5'-monophosphate(2-).