triazanium [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate

Systemtic Name: triazanium [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate Openeye Name: triammonium [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate CAS Name: triammonium [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-[cyano(phosphonato)boranyl]phosphinate IUPAC Name: triazanium [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-[cyano(phosphonato)boranyl]phosphinate Traditional Name: triammonium (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-[cyano(phosphonato)boranyl]phosphinate Formula: C11H24BN9O8P2 MolecularWeight: 483.122282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C#N)(P(=O)([O-])[O-])P(=O)([O-])OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O.[NH4+].[NH4+].[NH4+]

Isomeric SMILES

B(C#N)(P(=O)([O-])[O-])P(=O)([O-])OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O.[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C11H15BN6O8P2.3H3N/c13-3-12(27(20,21)22)28(23,24)25-2-7-6(19)1-8(26-7)18-5-17-9-10(14)15-4-16-11(9)18;;;/h4-8,19H,1-2H2,(H,23,24)(H2,14,15,16)(H2,20,21,22);3*1H3