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6R-Leucovorin

CAT: 0013-GTR19196014Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196014Size:25 mg
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Description
6R-Leucovorin is a reduced folate analog derived from folic acid. It is widely used in biochemical research, particularly in studies of folate metabolism, and as a rescue agent in conjunction with chemotherapeutic drugs in both in vitro and in vivo experimental models.
CAS Number
73951-54-9
Field of Research
Pharmacology & Drug Discovery
Smiles
C (=O) N1C2=C (NC[C@H]1CNC3=CC=C (C (N[C@@H] (CCC (O) =O) C (O) =O) =O) C=C3) NC (N) =NC2=O
Molecular Formula
C20H23N7O7
Molecular Weight
473.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6R-Leucovorin
CAS Number73951-54-9
PubChem CID135484651
IUPAC Name(2S)-2-[[4-[[(6R)-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
C1[C@H](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+/m1/s1
InChIKey
VVIAGPKUTFNRDU-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of 6R-Leucovorin
CAS: 73951-54-9
CID: 135484651
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 Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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