L-Tetrahydrofolic Acid - CAS 135-16-0
Catalog number: 135-16-0
Category: Inhibitor
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
C19H23 N7 O6
Molecular Weight:
445.43
COA:
Inquire
Targets:
Others
Description:
Tetrahydrofolic acid is a folic acid derivative. It is a cofactor in many bio-reactions, especially in the metabolism of amino acids and nucleic acids.
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Purity:
≥70% (when packaged)
Appearance:
Light Tan to Light Brown Solid
Synonyms:
N-[4-[[(2-Amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic Acid; (-)-L-5,6,7,8-Tetrahydrofolic Acid; THFA; Tetrahydropteroylglutamic Acid;
Solubility:
DMSO (Slightly), Methanol (Slightly)
Storage:
Amber Vial, -86°C Freezer, Under inert atmosphere
MSDS:
Inquire
Application:
a cofactor in many bio-reactions, especially in the metabolism of amino acids and nucleic acids.
Quality Standard:
In-house standard
Shelf Life:
2 month in rt, long time
Quantity:
Milligrams-Grams
Boiling Point:
No Data Available
Melting Point:
>189°C (dec.)
Density:
1.7g/cm3
InChIKey:
MSTNYGQPCMXVAQ-KIYNQFGBSA-N
InChI:
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1
Canonical SMILES:
C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
1.Study on molecular structure, spectroscopic investigation (IR, Raman and NMR), vibrational assignments and HOMO-LUMO analysis of L-sodium folinate using DFT: a combined experimental and quantum chemical approach.
Li L1, Cai T1, Wang Z1, Zhou Z1, Geng Y1, Sun T2. Spectrochim Acta A Mol Biomol Spectrosc. 2014;120:106-18. doi: 10.1016/j.saa.2013.10.011. Epub 2013 Oct 12.
In the present work, an exhaustive conformational search of N-[4-[[(2-amino-5-formyl-(6S)-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid disodium salt (L-SF) has been preformed. The optimized structure of the molecule, vibrational frequencies and NMR spectra studies have been calculated by density functional theory (DFT) using B3LYP method with the 6-311++G (d, p) basis set. IR and FT-Raman spectra for L-SF have been recorded in the region of 400-4000 cm(-1) and 100-3500 cm(-1), respectively. 13C and 1H NMR spectra were recorded and 13C and 1H nuclear magnetic resonance chemical shifts of the molecule were calculated based on the gauge-independent atomic orbital (GIAO) method. Finally all of the calculation results were applied to simulate IR, Raman, 1H NMR and 13C NMR spectrum of the title compound which showed excellent agreement with observed spectrum. Furthermore, reliable vibrational assignments which have been made on the basis of potential energy distribution (PED) and characteristic vibratinonal absorption bands of the title compound in IR and Raman have been figured out.
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CAS 135-16-0 L-Tetrahydrofolic Acid

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