CID 6037

HCID 6037

Basic information

CAS
59-30-3
Standard SMILES
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
InChIKey
OVBPIULPVIDEAO-LBPRGKRZSA-N
Molecular formula
C19H19N7O6
Average molar mass
441.4 g/mol
Monoisotopic mass
441.13968133

Overview

See also: Folic Acid (preferred); Broccoli (part of); Multivitamin (component of) ... View More ...

Names & identifiers

Preferred name
CID 6037
IUPAC
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
English name
Folic acid
Molecular formula
C19H19N7O6
Molecular weight
441.4

Names & synonyms

PGAFolateVitamin BVitamin B9folicFOLIC ACID HYDRATEPTEROYLGLUTAMIC ACIDVitamin B11PTEROYLMONOGLUTAMIC ACIDFOLLIC ACID

Database identifiers

CAS
59-30-3
PubChem CID
6037
DTXSID
DTXSID0022519

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
209 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
32

Experimental & physicochemical properties

Solubility0.0016 mg/mL
Melting Point250 °C
Physical DescriptionSolid
Collision Cross Section201.3 Ų [M-2H+Na]-

Physicochemical properties

Melting point
250 °C · 250 °C
alpha
20 · 20 º (c=1, 0.1N NaOH)
Boiling point
552.35 °C · 552.35°C (rough estimate)
Density
1.4704 · 1.4704 (rough estimate)
bulk density
110 kg/m3 · 110kg/m3
refractive index
1.68 · 1.6800 (estimate)

Safety & regulation

Safety data

F
8
PPE
Eyeshields, Gloves, type N95 (US)
wgk
1
tsca
TSCA listed
rtecs
LP5425000
hs_code
29362900

Chemistry & industry

Pharmacology

Tissue LocationsBrain
Cellular LocationsExtracellular
Metabolite PathwaysFolate malabsorption, hereditary
Applications · 10 items

DescriptionFolic acid (folate,59-30-3) is a kind of B-vitamin which is mainly present in the liver and kidney. It has various kinds of pharmacological and physiological effects. It is involved in amino acid metabolism, purine and pyrimidine synthesis, and is also essential for hematopoiesis and red blood cell generation. In women pregnancy, folate can effectively prevent neural tube defects in the baby. It plays important role in fertility through contributing to spermatogenesis. It can also reduce the incidence of heart disease, stroke and cancer. Folate deficiency may lead to various kinds of diseases including glossitis, diarrhea, depression, confusion, anemia, and fetal neural tube defectsand brain defects (during pregnancy). Other symptoms may include fatigue, gray hair, mouth sores, poor growth, and swollen tongue.

DescriptionFolic acid is an essential B vitamin. It is converted to folate in vivo, which is a necessary cofactor for a variety of biological processes, including nucleotide synthesis and, thus, DNA synthesis and repair, among others. A deficiency in dietary folic acid can lead to a range of developmental and cognitive disorders, most prominently neural tube defects and congenital heart defects.

DescriptionIn the 1930s, brewer’s yeast was found to prevent anemia. Folic acid was later discovered to be the nutrient responsible for this effect and was purified in 1941 by Mitchell and coworkers (Mitchell et al., 1941). Folate is needed for biosynthesis of purines and thymidine for DNA and RNA synthesis in all cells. It is also involved in metabolism of some of the amino acids needed for protein synthesis, especially the conversions of serine to glycine and homocysteine to methionine. This makes the nutrient especially important during periods of rapid cell division, such as in pregnancy. Folate is also involved in transfer of one-carbon groups for methylation reactions. The role of folate in cell division was capitalized upon in the synthesis of aminopterin, a folate antagonist, which was one of the first anticancer drugs produced.

OccurrenceSynthetic

UsesLiterature tends to indicate that B vitamins cannot pass through the layers of the skin and, therefore, are of no value in the skin surface. Current experiments demonstrate, however, that vitamin B2 acts as a chemical reaction accelerator, enhancing the performance of tyrosine derivatives in suntan-accelerating preparations.

UsesFolic Acid is a water-soluble b-complex vitamin that aids in the for- mation of red blood cells, prevents certain anemias, and is essential in normal metabolism. high-temperature processing affects its sta- bility. it is best stored at lower than room temperatures. it is also termed folacin. it is found in liver, nuts, and green vegetables.

UsesA vitamin needed to synthesize DNA, conduct DNA repair and methylate DNA, it also acts as a cofactor in biological reactions involving folate.

Useshematopoietic vitamin

Usesfolic acid is generally used as an emollient. In vitro and in vivo skin studies now indicate its capacity to aid in DnA synthesis and repair, promote cellular turnover, reduce wrinkles, and promote skin firmness. There is some indication that folic acid may also protect DnA from uV-induced damage. Folic acid is a member of the vitamin B complex and is naturally occurring in leafy greens.

General DescriptionOdorless orange-yellow needles or platelets. Darkens and chars from approximately 482°F.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Folic acid is an N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. It has a role as a human metabolite, a nutrient and a mouse metabolite. It is a member of folic acids and a N-acyl-amino acid. It is functionally related to a pteroic acid. It is a conjugate acid of a folate(2-).

Related reactions

3 records

Compound notes

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