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(2S, 4’S, 8’S)-alpha-Tocopherol

CAT: 0572-TRC-T526095-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T526095-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77171-97-2
Synonyms
(2S)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol; L-α-Tocopherol
Hazard Statement
No Data Available
Smiles
CC1=C2C(CC[C@@](CCC[C@H](CCC[C@H](CCCC(C)C)C)C)(C)O2)=C(C)C(O)=C1C
Molecular Formula
C29H50O2
Molecular Weight
430.71
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-/m0/s1
Additionnal Information
IUPAC name: (S)-2,5,7,8-tetramethyl-2-((4S,8S)-4,8,12-trimethyltridecyl)chroman-6-ol
Shipping Conditions
Room Temperature

Chemical Information

(-)-alpha-Tocopherol

(S,S,S)-alpha-tocopherol is the (S,S,S)-stereoisomer of alpha-tocopherol. It is an enantiomer of a (R,R,R)-alpha-tocopherol.

CAS Number77171-97-2
PubChem CID1742129
IUPAC Name(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-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-/m0/s1
InChIKey
GVJHHUAWPYXKBD-SYZUXVNWSA-N
Chemical Structure
2D Structure
2D structure of (-)-alpha-Tocopherol
CAS: 77171-97-2
CID: 1742129
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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