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Lysine ascorbate

CAT: 0013-GTR19223306-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223306-01Size:100 mg
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Description
Lysine ascorbate is a bioactive small molecule compound utilized in biochemical research. It is applied in both in vitro and in vivo studies to investigate cellular antioxidant mechanisms and the role of ascorbate derivatives in physiological processes.
CAS Number
94231-35-3
Field of Research
Pharmacology & Drug Discovery
Smiles
NCCCC[C@@H] (N) C (O) =O.[H][C@@]1 (OC (=O) C (O) =C1O) [C@@H] (O) CO |c:15|
Molecular Formula
C12H22N2O8
Molecular Weight
322.314
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lysine ascorbate
CAS Number94231-35-3
PubChem CID54698171
IUPAC Name(2S)-2,6-diaminohexanoic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
Molecular FormulaC12H22N2O8
Molecular Weight322.31
Topological Polar Surface Area197
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity338
SMILES
C(CCN)C[C@@H](C(=O)O)N.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
InChI
InChI=1S/C6H14N2O2.C6H8O6/c7-4-2-1-3-5(8)6(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5/h5H,1-4,7-8H2,(H,9,10);2,5,7-10H,1H2/t5-;2-,5+/m00/s1
InChIKey
QPNXLUIFXPXQCB-BHQVQWGSSA-N
Chemical Structure
2D Structure
2D structure of Lysine ascorbate
CAS: 94231-35-3
CID: 54698171
Formula: C12H22N2O8
MW: 322.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.31
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass322.13761566
Monoisotopic Mass322.13761566
Topological Polar Surface Area197 Ų
Heavy Atom Count22
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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