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1665-56-1

1665-56-1 structural image
Product Name: (2Z,4S,4aS,12aS)-2-(amino-hydroxy-methylidene)-4-dimethylamino-10,11,1 2a-trihydroxy-6-methyl-4a,5-dihydro-4H-tetracene-1,3,12-trione
Formula: C22H22N2O7
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COMPUTED DESCRIPTORS

Molecular Weight 426.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 426.14270105 g/mol
Monoisotopic Mass 426.14270105 g/mol
Topological Polar Surface Area 161 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 855
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Anhydrotetracycline is a tertiary alpha-hydroxy ketone and a member of tetracyclines. It is a tautomer of an anhydrotetracycline zwitterion.