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5147-00-2

5147-00-2 structural image
Product Name: O-ACETYL-L-SERINE
Formula: C5H9NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 130.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 147.13 g/mol
XLogP3 -3.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 147.05315777 g/mol
Monoisotopic Mass 147.05315777 g/mol
Topological Polar Surface Area 89.6 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 145
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

O-acetyl-L-serine is an acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria. It has a role as a bacterial metabolite and a Saccharomyces cerevisiae metabolite. It is an acetate ester and an acetyl-L-serine. It is a tautomer of an O-acetyl-L-serine zwitterion.