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4042-36-8

4042-36-8 structural image
Product Name: D-Pyroglutamic acid
Formula: C5H7NO3
Synonyms: D-5-Oxo-2-pyrrolidinecarboxylic acid;D-Pyroglutamic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 124.6 Ų [M-H]- 130.4 Ų [M+H]+

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 129.11 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 129.042593085 g/mol
Monoisotopic Mass 129.042593085 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 154
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

5-oxo-D-proline is the D-enantiomer of 5-oxoproline. It has a role as a metabolite. It is a D-proline derivative and a 5-oxoproline. It is a conjugate acid of a 5-oxo-D-prolinate. It is an enantiomer of a 5-oxo-L-proline.