[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-cyano-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-cyano-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-cyano-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-cyano-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,5R)-5-adenin-9-yl-2-cyano-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C11H13N6O6P MolecularWeight: 356.231281

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)(COP(=O)(O)O)C#N)O

Isomeric SMILES

C1[C@@H]([C@](O[C@H]1N2C=NC3=C2N=CN=C3N)(COP(=O)(O)O)C#N)O

InChI

InChI=1S/C11H13N6O6P/c12-2-11(3-22-24(19,20)21)6(18)1-7(23-11)17-5-16-8-9(13)14-4-15-10(8)17/h4-7,18H,1,3H2,(H2,13,14,15)(H2,19,20,21)/t6-,7+,11+/m0/s1