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Folinic Acid

CAT: 0024-sc-337846BSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-337846BSize:25 mg
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CAS Number
58-05-9

Chemical Information

Leucovorin

5-formyltetrahydrofolic acid is a formyltetrahydrofolic acid in which the formyl group is located at position 5. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a 5-formyltetrahydrofolate(2-).

CAS Number58-05-9
PubChem CID135403648
IUPAC Name(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC20H23N7O7
Molecular Weight473.4
XLogP-1.2
Topological Polar Surface Area216
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity911
SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
InChIKey
VVIAGPKUTFNRDU-ABLWVSNPSA-N
Chemical Structure
2D Structure
2D structure of Leucovorin
CAS: 58-05-9
CID: 135403648
Formula: C20H23N7O7
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP3-1.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass473.16589610
Monoisotopic Mass473.16589610
Topological Polar Surface Area216 Ų
Heavy Atom Count34
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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