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Chemical structure of Coenzyme Q10-d9

GC76203

Coenzyme Q10-d9

Also known as 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-bis(trideuteriomethoxy)-3-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione

Coenzyme Q10-d9 is the deuterium labeled Coenzyme Q10

ChemicalCAS2687960-97-8MW872.4FormulaC59H81D9O4
CAS number
2687960-97-8
Molecular weight
872.4
Formula
C59H81D9O4
InChIKey
ACTIUHUUMQJHFO-YYVXISADSA-N
Catalogue number
GC76203
Brand
GLPBIO
Computed properties PubChem CID 162642110 · XLogP 19.4 · TPSA 52.6 Ų · H-bond donors 0
XLogP
19.4
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
31
Heavy atoms
63

SMILES [2H]C([2H])([2H])C1=C(C(=O)C(=C(C1=O)OC([2H])([2H])[2H])OC([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

Computed descriptors from PubChem (CID 162642110), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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