Structure Database (LMSD)

Common Name
alpha-tocopherol
Systematic Name
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
Synonyms
  • Vitamin E
LM ID
LMPR02020001
Status
Active
Exact Mass
Calculate m/z
430.38108
Formula
C29H50O2
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MDLMOL SDF CSV TSV
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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)
GVJHHUAWPYXKBD-IEOSBIPESA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1(C)=C(C)C2O[C@@](CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C)(C)CCC=2C(C)=C1O

References

Other Databases

Wikipedia
Vitamin_E
KEGG ID
C02477
HMDB ID
HMDB0001893
CHEBI ID
18145
LIPIDBANK ID
VVE0001
PubChem CID
14985

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 2
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 484.30
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.13
Molar Refractivity 134.90

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Created at
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Updated at
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