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Vitamin?E?Acetate

CAT: 0013-GTR19161349-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161349-01Size:200 mg
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Description
A natural tocopherol and one of the most potent antioxidant tocopherols. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. It has four methyl groups on the 6-chromanol nucleus. The natural d form of alpha-tocopherol is more active than its synthetic dl-alpha-tocopherol racemic mixture.
CAS Number
58-95-7
Product Name Alternative
Alpha-Tocopherol acetate | Ephynal acetate | T-3376 | EINECS 200-405-4 | Contopheron | Ephynal acetate
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
CC (C) CCC[C@@H] (C) CCC[C@@H] (C) CCC[C@]1 (C) CCC2=C (C) C (OC (C) =O) =C (C) C (C) =C2O1
Molecular Formula
C31H52O3
Molecular Weight
472.76
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(R) -2,5,7,8-tetramethyl-2- ((4R,8R) -4,8,12-trimethyltridecyl) chroman-6-yl acetate

Chemical Information

Alpha-Tocopherol Acetate

Alpha-Tocopherol acetate is a tocol.

CAS Number58-95-7
PubChem CID86472
IUPAC Name[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
Molecular FormulaC31H52O3
Molecular Weight472.7
XLogP10.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity601
SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C
InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
InChIKey
ZAKOWWREFLAJOT-CEFNRUSXSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Tocopherol Acetate
CAS: 58-95-7
CID: 86472
Formula: C31H52O3
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP310.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass472.39164552
Monoisotopic Mass472.39164552
Topological Polar Surface Area35.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity601
Isotope Atom Count0
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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