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δ-Tocotrienol prodrug-1

CAT: 0931-T88310-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88310-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128254-90-0
Target
Others
Related Pathways
Others
Bioactivity
δ-Tocotrienolprodrug-1 (compound 5b) serves as a prodrug of δ-tocotrienol. This compound possesses radioprotective properties and aids in the regeneration of hematopoietic progenitor and stem cells in the bone marrow and spleen of mice.
Smiles
CC1=C2C(=CC(OC(CCC(O)=O)=O)=C1)CC[C@](CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(C)O2
Molecular Formula
C31H44O5
Molecular Weight
496.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy]-4-oxobutanoic acid
CAS Number128254-90-0
PubChem CID171714279
IUPAC Name4-[[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy]-4-oxobutanoic acid
Molecular FormulaC31H44O5
Molecular Weight496.7
XLogP8.1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count36
Formal Charge0
Complexity819
SMILES
CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC(=O)CCC(=O)O
InChI
InChI=1S/C31H44O5/c1-22(2)10-7-11-23(3)12-8-13-24(4)14-9-18-31(6)19-17-26-21-27(20-25(5)30(26)36-31)35-29(34)16-15-28(32)33/h10,12,14,20-21H,7-9,11,13,15-19H2,1-6H3,(H,32,33)/b23-12+,24-14+/t31-/m1/s1
InChIKey
WAMXAKYRURXCTK-PEEHXICZSA-N
Chemical Structure
2D Structure
2D structure of 4-[[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]oxy]-4-oxobutanoic acid
CAS: 128254-90-0
CID: 171714279
Formula: C31H44O5
MW: 496.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass496.31887450
Monoisotopic Mass496.31887450
Topological Polar Surface Area72.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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