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Chemical structure of Tristearin-d40

GC70599

Tristearin-d40

Also known as [1,1,2,3,3-pentadeuterio-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoyloxy)propyl] 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontadeuteriooctadecanoate

Tristearin-d40 is the deuterium labeled Tristearin

ChemicalCAS33048-69-0MW1002.16FormulaC57D110O6
CAS number
33048-69-0
Molecular weight
1002.16
Formula
C57D110O6
InChIKey
DCXXMTOCNZCJGO-FYQZPCQBSA-N
Catalogue number
GC70599
Brand
GLPBIO
Computed properties PubChem CID 90471552 · XLogP 25.2 · TPSA 78.9 Ų · H-bond donors 0
XLogP
25.2
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
56
Heavy atoms
63

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([2H])([2H])C([2H])([2H])C(=O)OC([2H])([2H])C([2H])(C([2H])([2H])OC(=O)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([2H])([2H])C([2H])([2H])[2H])OC(=O)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([2H])([2H])C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 90471552), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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