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1,3-Dipalmitin-d6

CAT: 0804-HY-128792S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128792S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1,3-Dipalmitin-d6 (Glyceryl 1,3-dipalmitate-d6) is deuterium labeled 1,3-Dipalmitin. 1,3-Dipalmitin (1,3-Dipalmitoylglycerol) is a cerebroside that can be found in Typhonium giganteum Engl[1][1][2].
CAS Number
2692624-34-1
Product Name Alternative
Glyceryl 1,3-dipalmitate-d6; 1,3-Dipalmitoyl-glycerol-d6; Glycerol 1,3-Dipalmitate-d6
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.0
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(OCC(O)COC(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)=O
Molecular Formula
C35H6D62O5
Molecular Weight
631.29
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Chen XS, et, al. Chemical constituents of Typhonium giganteum Engl. J Asian Nat Prod Res. 2001;3 (4) :277-83.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1,3-Dipalmitin-D62
CAS Number2692624-34-1
PubChem CID178202103
IUPAC Name[3-hydroxy-4-(6-methylhexadecanoyloxy)butan-2-yl] 9-methylheptadecanoate
Molecular FormulaC39H76O5
Molecular Weight625.0
XLogP15.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count35
Heavy Atom Count44
Formal Charge0
Complexity636
SMILES
CCCCCCCCCCC(C)CCCCC(=O)OCC(C(C)OC(=O)CCCCCCCC(C)CCCCCCCC)O
InChI
InChI=1S/C39H76O5/c1-6-8-10-12-14-15-18-22-29-35(4)30-25-26-31-38(41)43-33-37(40)36(5)44-39(42)32-24-20-16-19-23-28-34(3)27-21-17-13-11-9-7-2/h34-37,40H,6-33H2,1-5H3
InChIKey
KAABSEXNFJALKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dipalmitin-D62
CAS: 2692624-34-1
CID: 178202103
Formula: C39H76O5
MW: 625.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.0
XLogP315.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count35
Exact Mass624.56927552
Monoisotopic Mass624.56927552
Topological Polar Surface Area72.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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