(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol Formula: C16H23N5O9 MolecularWeight: 429.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O

InChI

InChI=1S/C16H23N5O9/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(27)12(6(2-23)28-15)30-16-10(26)9(25)8(24)5(1-22)29-16/h3-6,8-12,15-16,22-27H,1-2H2,(H2,17,18,19)/t5-,6-,8+,9+,10-,11-,12-,15-,16+/m1/s1