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Chemical structure of 1,2,3-Tristearoyl Glycerol-d105

GC46372

1,2,3-Tristearoyl Glycerol-d105

Also known as 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

1,2,3-Tristearoyl Glycerol-d105 is the deuterium labeled Tristearin

ChemicalCAS125941-88-0MW997.1FormulaC57H5D105O6
CAS number
125941-88-0
Molecular weight
997.1
Formula
C57H5D105O6
Solubility
Chloroform： 10 mg/ml
InChIKey
DCXXMTOCNZCJGO-PAKTVWTGSA-N
Catalogue number
GC46372
Brand
GLPBIO
Computed properties PubChem CID 102602340 · 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)OCC(COC(=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 102602340), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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