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D-alpha-Tocopherol Acetate

CAT: 1596-AR-T03377-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03377-02Size:100 Units
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CAS Number
58-95-7
Synonyms
(R) -2,5,7,8-Tetramethyl-2- ((4R,8R) -4,8,12-trimethyltridecyl) chroman-6-yl acetate
Molecular Formula
C31H52O3
API Name
Tocopherol

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
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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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Alternative Products

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HY-B1278-01D-α-Tocopherol acetate
BUP19234D-a-Tocopherol acetate
414884D –α-Tocopherol acetate
596342alpha-Tocopherol acetate
GL1672-25g(+) -alpha-Tocopherol acetate
RM-T031859-01D-Alfa-Tocopherol Acetate
TRC-T526155-1Gdl-Alpha-Tocopherol Acetate
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