61931-02-0 Purity
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Specification
The molecular formula of 7-Deazaguanosine is C11H14N4O5.
The molecular weight of 7-Deazaguanosine is 282.25 g/mol.
The IUPAC name of 7-Deazaguanosine is 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
The InChI of 7-Deazaguanosine is InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1.
The InChIKey of 7-Deazaguanosine is JRYMOPZHXMVHTA-DAGMQNCNSA-N.
The canonical SMILES of 7-Deazaguanosine is C1=CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O.
The isomeric SMILES of 7-Deazaguanosine is C1=CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.
The CAS number of 7-Deazaguanosine is 62160-23-0.
The XLogP3-AA value of 7-Deazaguanosine is -2.4.
7-Deazaguanosine has 5 hydrogen bond donor counts.