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Dl-Tocopherol

CAT: 1299-RM-T031851-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T031851-04Size:100 mg
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CAS Number
2074-53-5
Synonyms
Dl-α-Tocopherol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[ (4R,8R) -4,8,12-trimethyltridecyl]-, (2R) -rel-
Molecular Formula
C29H50O2
Molecular Weight
430.71
Target Alternative Name
Tocopherol
Product Name Synonym
Dl-α-Tocopherol; 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,7,8-tetramethyl-2-[ (4R,8R) -4,8,12-trimethyltridecyl]-, (2R) -rel-

Chemical Information

alpha-Tocopherol

(R,R,R)-alpha-tocopherol is an alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. It has a role as an antioxidant, an antiviral agent, a micronutrient, an EC 2.7.11.13 (protein kinase C) inhibitor, an anticoagulant, a nutraceutical, an immunomodulator, an antiatherogenic agent, a plant metabolite and an algal metabolite. It is an enantiomer of a (S,S,S)-alpha-tocopherol.

CAS Number2074-53-5
PubChem CID14985
IUPAC Name(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC29H50O2
Molecular Weight430.7
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
CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)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
InChIKey
GVJHHUAWPYXKBD-IEOSBIPESA-N
Chemical Structure
2D Structure
2D structure of alpha-Tocopherol
CAS: 2074-53-5
CID: 14985
Formula: C29H50O2
MW: 430.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.7
XLogP310.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass430.381080833
Monoisotopic Mass430.381080833
Topological Polar Surface Area29.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity503
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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