[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] prop-2-enoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] prop-2-enoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] prop-2-enoate CAS Name: 2-propenoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] prop-2-enoate Traditional Name: acrylic acid [(2R,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl] ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C=CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H15N5O4/c1-2-10(20)22-7-3-9(21-8(7)4-19)18-6-17-11-12(14)15-5-16-13(11)18/h2,5-9,19H,1,3-4H2,(H2,14,15,16)/t7-,8+,9+/m0/s1