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932-53-6

932-53-6 structural image
Product Name: 6-AZATHYMINE
Formula: C4H5N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1380.7

COMPUTED DESCRIPTORS

Molecular Weight 127.10 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 127.038176411 g/mol
Monoisotopic Mass 127.038176411 g/mol
Topological Polar Surface Area 70.6 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 196
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

6-azathymine is a nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen. It has a role as a Mycoplasma genitalium metabolite and an EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor. It is a cyclic ketone, a member of 1,2,4-triazines and a nucleobase analogue.