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Chemical structure of Octacosane-d58

GC77003

Octacosane-d58

Also known as 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,28-octapentacontadeuteriooctacosane

Octacosane-d58 is the deuterium labeled Octacosane

ChemicalCAS16416-33-4MW453.12FormulaC28D58
CAS number
16416-33-4
Molecular weight
453.12
Formula
C28D58
Solubility
DMSO： ＜ 1 mg/mL (insoluble or slightly soluble)
InChIKey
ZYURHZPYMFLWSH-ABYBKZRISA-N
Catalogue number
GC77003
Brand
GLPBIO
Computed properties PubChem CID 16213597 · XLogP 14.8 · TPSA 0 Ų · H-bond donors 0
XLogP
14.8
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
25
Heavy atoms
28

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([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 16213597), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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