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Gamma-Tocopherol-d4 (major)

CAT: 0572-TRC-T526142-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T526142-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329652-13-2
Synonyms
(2R)-3,4-Dihydro-2,8-dimethyl-7-(methyl-d4)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol; (+)- 2,8-Dimethyl-(7-methyl-d4)-2-(4,8,12-trimethyltridecyl) -6-chromanol; (+)-γ-Tocopherol-d4; (2R,4'R,8'R)-γ-Tocopherol-d4; (R,R,R)-γ -Tocopherol-d4; D-γ-Tocopherol-d4; all-(R)-γ-Tocopherol-d4; d-γ-Tocopherol-d4;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC1=C([2H])C(CC[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)O2)=C2C(C)=C1C([2H])([2H])[2H]
Molecular Formula
C28H44D4O2
Molecular Weight
420.7
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

gamma-Tocopherol-D4
CAS Number1329652-13-2
PubChem CID71752599
IUPAC Name(2R)-5-deuterio-2,8-dimethyl-7-(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
Molecular FormulaC28H48O2
Molecular Weight420.7
XLogP10.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity475
SMILES
[2H]C1=C2CC[C@@](OC2=C(C(=C1O)C([2H])([2H])[2H])C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI
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/i5D3,19D
InChIKey
QUEDXNHFTDJVIY-HYPXHKDHSA-N
Chemical Structure
2D Structure
2D structure of gamma-Tocopherol-D4
CAS: 1329652-13-2
CID: 71752599
Formula: C28H48O2
MW: 420.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.7
XLogP310.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass420.390537753
Monoisotopic Mass420.390537753
Topological Polar Surface Area29.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity475
Isotope Atom Count4
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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