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5988-19-2

5988-19-2 structural image
Product Name: L-DIHYDROOROTIC ACID
Formula: C5H6N2O4
Synonyms: L-Hydroorotic acid;2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid;Dihydro-L-orotic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 145.44 Ų [M-H]- [CCS Type: DT, Method: stepped-field]

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 P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 158.11 g/mol
XLogP3 -1.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 158.03275668 g/mol
Monoisotopic Mass 158.03275668 g/mol
Topological Polar Surface Area 95.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 225
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

(S)-dihydroorotic acid is the (S)-enantiomer of dihydroorotic acid that is an intermediate in the metabolism of pyridine. It has a role as a Saccharomyces cerevisiae metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a (S)-dihydroorotate. It is an enantiomer of a (R)-dihydroorotic acid.