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2-ambo-Vitamin E-13C6

CAT: 0804-HY-N0683S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0683S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
α-Vitamin E-13C6 is the 13C-labeled α-Vitamin E. α-Vitamin E ((+) -α-Tocopherol), a naturally occurring vitamin E form, is a potent antioxidant[1][2].
CAS Number
2140857-08-3
Product Name Alternative
2-ambo-α-Tocopherol-13C6
UNSPSC
12352005
Target
Bacterial; Endogenous Metabolite; Ferroptosis; Influenza Virus; Isotope-Labeled Compounds; Reactive Oxygen Species (ROS)
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/α-vitamin-e-13c6.html
Solubility
10 mM in DMSO
Smiles
CC(CCC[C@H](CCC[C@H](CCCC1(CC[13C]2=[13C]([13C](O)=[13C]([13C](C)=[13C]2O1)C)C)C)C)C)C
Molecular Formula
C23 13C6H50O2
Molecular Weight
436.66
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Atchara Paemanee, et al. Screening of melatonin, α-tocopherol, folic acid, acetyl-L-carnitine and resveratrol for anti-dengue 2 virus activity. BMC Res Notes. 2018 May 16;11 (1) :307.|[3]Daiki Hayashi, et al. Amelioration of diabetic nephropathy by oral administration of d-α-tocopherol and its mechanisms. Biosci Biotechnol Biochem. 2018 Jan;82 (1) :65-73.|[4]Maret G Traber, et al. Vitamin E, antioxidant and nothing more. Free Radic Biol Med. 2007 Jul 1;43 (1) :4-15.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

alpha-Vitamin E-13C6
CAS Number2140857-08-3
PubChem CID124203174
IUPAC Name2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC29H50O2
Molecular Weight436.7
XLogP10.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity503
SMILES
C[13C]1=[13C]([13C]2=[13C](CCC(O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[13C](=[13C]1O)C)C
InChI
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29?/m1/s1/i23+1,24+1,25+1,26+1,27+1,28+1
InChIKey
GVJHHUAWPYXKBD-CVPWOIPRSA-N
Chemical Structure
2D Structure
2D structure of alpha-Vitamin E-13C6
CAS: 2140857-08-3
CID: 124203174
Formula: C29H50O2
MW: 436.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.7
XLogP310.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass436.40120985
Monoisotopic Mass436.40120985
Topological Polar Surface Area29.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity503
Isotope Atom Count6
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes