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22255-40-9

22255-40-9 structural image
Product Name: LOGANIC ACID
Formula: C16H24O10
Synonyms: Loganate
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COMPUTED DESCRIPTORS

Molecular Weight 376.36 g/mol
XLogP3 -1.7
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 376.13694696 g/mol
Monoisotopic Mass 376.13694696 g/mol
Topological Polar Surface Area 166 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 565
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

Loganic acid is a cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively It has a role as a plant metabolite. It is a cyclopentapyran, an alpha,beta-unsaturated monocarboxylic acid and a glucoside. It is a conjugate acid of a loganate.