Molecular Identity
alpha-Tocopherol
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
PubChem CID: 14985
(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.
2D Structure
Properties
C29H50O2
Molecular Formula
430.70
Molecular Weight
g/mol
430.3811
Exact Mass
Da
10.7
XLogP
Above Lipinski threshold
29.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
503
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)CIsomeric SMILES
SMILES: CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)CSynonyms(20)
alpha-Tocopherol59-02-9D-alpha-Tocopherol5,7,8-Trimethyltocol2074-53-5(+)-alpha-TocopherolPhytogermineEprolin(R,R,R)-alpha-Tocopherola-Vitamin EDenamoneViteolinEtavitEsorb(2R,4'R,8'R)-alpha-Tocopherol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to alpha-Tocopherol
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