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Chemical structure of N6-Etheno 2'-deoxyadenosine

GC65241

N6-Etheno 2'-deoxyadenosine

Also known as (2R,3S)-2-(hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolan-3-ol

N6-Etheno 2'-deoxyadenosine is a reactive oxygen species (ROS)/reactive nitrogen species (RNS)-induced DNA oxidation product, used as a biomarker to evaluate chronic inflammation and lipid peroxidation in animal or human tissues

ChemicalCAS68498-25-9MW275.26FormulaC12H13N5O3
CAS number
68498-25-9
Molecular weight
275.26
Formula
C12H13N5O3
Solubility
Water ： 7·14 mg/mL (25·94 mM; Need ultrasonic)|DMSO ： ＜ 1 mg/mL (insoluble or slightly soluble)
InChIKey
XQQIMTUYVDUWKJ-ZQTLJVIJSA-N
Catalogue number
GC65241
Brand
GLPBIO
Computed properties PubChem CID 105116 · XLogP 0.7 · TPSA 97.7 Ų · H-bond donors 2
XLogP
0.7
TPSA
97.7 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

SMILES C1[C@@H]([C@H](OC1N2C=NC3=C2N=CN4C3=NC=C4)CO)O

Computed descriptors from PubChem (CID 105116), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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