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4033-27-6

4033-27-6 structural image
Product Name: DIHYDROFOLIC ACID
Formula: C19H21N7O6
Synonyms: 7,8-Dihydropteroyl-L-glutamic acid;Dihydropteroyl-L-glutamic acid;FAH2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 193.6 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 443.4 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 9
Exact Mass 443.15533142 g/mol
Monoisotopic Mass 443.15533142 g/mol
Topological Polar Surface Area 208 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 889
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

Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a dihydrofolate(2-).