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Vitamin E-13C2, d6

CAT: 0804-HY-144427SSize: 120 μg (227.93 μM x 1.2 mL in Methanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-144427SSize:120 μg (227.93 μM x 1.2 mL in Methanol)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vitamin E-13C2, d6 is a 13C-labeled and deuterium labeled Vitamin E[1].
CAS Number
2483824-69-5
UNSPSC
12352005
Target
Bacterial; Influenza Virus; Isotope-Labeled Compounds; Reactive Oxygen Species (ROS)
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Field of Research
Others
Concentration
227.93 μM * 1.2 mL in Methanol
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CC1=C2C(CC[C@@](C)(O2)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=C(C(O)=C1[13C]([2H])([2H])[2H])[13C]([2H])([2H])[2H]
Molecular Formula
C27 13C2H44D6O2
Molecular Weight
438.73
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Vitamin E-13C2,d6
CAS Number2483824-69-5
PubChem CID163408812
IUPAC Name(2S)-2,8-dimethyl-5,7-bis(trideuterio(113C)methyl)-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC29H50O2
Molecular Weight438.7
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
[2H][13C]([2H])([2H])C1=C(C2=C(CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=C1O)[13C]([2H])([2H])[2H])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-/m0/s1/i5+1D3,7+1D3
InChIKey
GVJHHUAWPYXKBD-GHOOTRIZSA-N
Chemical Structure
2D Structure
2D structure of Vitamin E-13C2,d6
CAS: 2483824-69-5
CID: 163408812
Formula: C29H50O2
MW: 438.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.7
XLogP310.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass438.42545098
Monoisotopic Mass438.42545098
Topological Polar Surface Area29.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity503
Isotope Atom Count8
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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