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101312-92-9

101312-92-9 structural image
Product Name: VALNEMULIN
Formula: C31H52N2O5S
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 233.3 Ų [M+H]+ [CCS Type: TW]

COMPUTED DESCRIPTORS

Molecular Weight 564.8 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 10
Exact Mass 564.35969394 g/mol
Monoisotopic Mass 564.35969394 g/mol
Topological Polar Surface Area 144 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 969
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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

See also: Valnemulin Hydrochloride (active moiety of).