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Folic Acid-d4

CAT: 0931-TMIH-0243-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0243-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171777-72-3
Target
DNA/RNA Synthesis, Endogenous Metabolite
Related Pathways
DNA Damage/DNA Repair, Metabolism, Cell Cycle/Checkpoint
Bioactivity
Folic Acid-d4 is a deuterated compound of Folic Acid.
Smiles
[2H]C1=C([2H])C(=C([2H])C([2H])=C1NCC1=CNC2=NC(N)=NC(=O)C2=N1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Molecular Formula
C19H15D4N7O6
Molecular Weight
445.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-(((2-Amino-4-oxo-1,4-dihydropteridin-6-yl)methyl)amino)(~2~H_4_)benzene-1-carbonyl)-L-glutamic acid
CAS Number171777-72-3
PubChem CID136219942
IUPAC Name(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid
Molecular FormulaC19H19N7O6
Molecular Weight445.4
XLogP-1.1
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity767
SMILES
[2H]C1=C(C(=C(C(=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])NCC2=CN=C3C(=N2)C(=O)NC(=N3)N)[2H]
InChI
InChI=1S/C19H19N7O6/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/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/i1D,2D,3D,4D
InChIKey
OVBPIULPVIDEAO-ALIZGMTFSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(((2-Amino-4-oxo-1,4-dihydropteridin-6-yl)methyl)amino)(~2~H_4_)benzene-1-carbonyl)-L-glutamic acid
CAS: 171777-72-3
CID: 136219942
Formula: C19H19N7O6
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass445.16478834
Monoisotopic Mass445.16478834
Topological Polar Surface Area209 Ų
Heavy Atom Count32
Formal Charge0
Complexity767
Isotope Atom Count4
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-16637S1-01Folic acid-d4
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TRC-F700452-0.5MG10-Formyl Folic Acid-d4
AR-F10711-01Folic Acid Impurity 15-d4
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AR-F10704-01N-Nitroso Folic Acid-d4
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