Synonyms
Adenine-9-1'-β-ribofuranoside
IUPAC Name
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula
C10H13N5O4
Canonical SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChI Key
OIRDTQYFTABQOQ-KQYNXXCUSA-N
Melting Point
234-236 °C(lit.)
Solubility
Soluble in water, ammonium hydroxide, dimethyl sulfoxide, insoluble in ethanol
Appearance
White crystalline powder
Isomeric SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
Monoisotopic Mass
267.09675391
pKa
pK1:3.6, pK2:12.4 (25°C)
Topological Polar Surface Area
140 Ų