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Dihydrofolic acid 5mg

CAT: 0628-A18650-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18650-5Size:5 mg
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CAS Number
4033-27-6

Chemical Information

Dihydrofolic Acid

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 a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a dihydrofolate(2-).

CAS Number4033-27-6
PubChem CID135398604
IUPAC Name(2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC19H21N7O6
Molecular Weight443.4
XLogP-0.9
Topological Polar Surface Area208
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity889
SMILES
C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C19H21N7O6/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/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
InChIKey
OZRNSSUDZOLUSN-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Dihydrofolic Acid
CAS: 4033-27-6
CID: 135398604
Formula: C19H21N7O6
MW: 443.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP3-0.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass443.15533142
Monoisotopic Mass443.15533142
Topological Polar Surface Area208 Ų
Heavy Atom Count32
Formal Charge0
Complexity889
Isotope Atom Count0
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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Alternative Products

CatalogName
GTR19203419-01Dihydrofolic acid
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