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1404-26-8

Product Name: Polymyxin B
Formula: C55H96N16O13
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COMPUTED DESCRIPTORS

Molecular Weight 1203.5 g/mol
XLogP3 -2.5
Hydrogen Bond Donor Count 18
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 29
Exact Mass 1202.74992724 g/mol
Monoisotopic Mass 1202.74992724 g/mol
Topological Polar Surface Area 491 Ų
Heavy Atom Count 85
Formal Charge 0
Complexity 2150
Isotope Atom Count 0
Defined Atom Stereocenter Count 13
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

Polymyxin B1 is a polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus.