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Chemical structure of 6PPD-quinone-d5

GC71190

6PPD-quinone-d5

Also known as 2-(4-methylpentan-2-ylamino)-5-(2,3,4,5,6-pentadeuterioanilino)cyclohexa-2,5-diene-1,4-dione

6PPD-quinone-d5 is the deuterium labeled 6PPD-quinone

ChemicalCAS2750119-14-1MW303.41FormulaC18H17D5N2O2
CAS number
2750119-14-1
Molecular weight
303.41
Formula
C18H17D5N2O2
Solubility
DMSO ： 5 mg/mL (16·48 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
UBMGKRIXKUIXFQ-UPKDRLQUSA-N
Catalogue number
GC71190
Brand
GLPBIO
Computed properties PubChem CID 162396681 · XLogP 4.1 · TPSA 58.2 Ų · H-bond donors 2
XLogP
4.1
TPSA
58.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])NC2=CC(=O)C(=CC2=O)NC(C)CC(C)C)[2H])[2H]

Computed descriptors from PubChem (CID 162396681), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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