Structure Database (LMSD)

H H HO O
Common Name
gamma-tocopherol
Systematic Name
(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
Synonyms
LM ID
LMPR02020065
Formula
C28H48O2
Exact Mass
Calculate m/z
416.36543
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin E [PR0202]

String Representations

InChiKey (Click to copy)
QUEDXNHFTDJVIY-DQCZWYHMSA-N
InChi (Click to copy)
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
SMILES (Click to copy)
C1(C)=C(C)C2O[C@@](CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C)(C)CCC=2C=C1O

References

Other Databases

KEGG ID
C02483
CHEBI ID
18185
PubChem CID
92729

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 467.00
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.82
Molar Refractivity 130.17

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Created at
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Updated at
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