[[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-cyano-boranyl]phosphonic acid

Systemtic Name: [[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-cyano-boranyl]phosphonic acid Openeye Name: [[[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]-cyano-boranyl]phosphonic acid CAS Name: [[[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]-cyanoboranyl]phosphonic acid IUPAC Name: [[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-cyanoboranyl]phosphonic acid Traditional Name: [[(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]-cyano-boranyl]phosphonic acid Formula: C11H15BN6O8P2 MolecularWeight: 432.030722

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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

Isomeric SMILES

B(C#N)(P(=O)(O)O)P(=O)(O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C11H15BN6O8P2/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)