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74282-22-7

74282-22-7 structural image
Product Name: trans-Fertaric acid
Formula: C14H14O9
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COMPUTED DESCRIPTORS

Molecular Weight 326.25 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 326.06378202 g/mol
Monoisotopic Mass 326.06378202 g/mol
Topological Polar Surface Area 151 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 473
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(2R,3R)-trans-fertaric acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of L-tartaric acid. It has a role as a metabolite. It is functionally related to a ferulic acid and a L-tartaric acid. It is an enantiomer of a (2S,3S)-trans-fertaric acid.