CAS | 114748-67-3 |
Synonyms | 7-Deaza-7-I-ddG |
IUPAC Name | 2-Amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one |
Molecular Weight | 376.15 |
Molecular Formula | C11H13IN4O3 |
Canonical SMILES | C1C[C@@H](O[C@@H]1CO)N2C=C(C3=C2N=C(NC3=O)N)I |
InChI | InChI=1S/C11H13IN4O3/c12-6-3-16(7-2-1-5(4-17)19-7)9-8(6)10(18)15-11(13)14-9/h3,5,7,17H,1-2,4H2,(H3,13,14,15,18)/t5-,7+/m0/s1 |
InChI Key | KJNOBXXCZQLWLF-CAHLUQPWSA-N |
Purity | 98% |
Density | 2.35±0.1 g/ml |
pKa | 10.28±0.20 |
Appearance | Solid |
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