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101961-60-8

101961-60-8 structural image
Product Name: valanimycin
Formula: C7H12N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 172.18 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 172.08479225 g/mol
Monoisotopic Mass 172.08479225 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 221
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

Valanimycin is an azoxy compound that is acrylic acid in which the olefinic hydrogen at position 2 has been replaced by an isobutyl-ONN-azoxy group. It has a role as a bacterial metabolite and an antimicrobial agent. It is an azoxy compound and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to an acrylic acid.