sodium [(2R,3S,5R)-5-(6-azanyl-8-phenyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-morpholin-4-yl-phosphinate

Systemtic Name: sodium [(2R,3S,5R)-5-(6-azanyl-8-phenyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-morpholin-4-yl-phosphinate Openeye Name: sodium [(2R,3S,5R)-5-(6-amino-8-phenyl-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinate CAS Name: sodium [(2R,3S,5R)-5-(6-amino-8-phenyl-9-purinyl)-3-hydroxy-2-oxolanyl]methoxy-(4-morpholinyl)phosphinate IUPAC Name: sodium [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinate Traditional Name: sodium [(2R,3S,5R)-5-(6-amino-8-phenyl-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinate Formula: C20H24N6NaO6P MolecularWeight: 498.404691

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)([O-])OCC2C(CC(O2)N3C4=C(C(=NC=N4)N)N=C3C5=CC=CC=C5)O.[Na+]

Isomeric SMILES

C1COCCN1P(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3C5=CC=CC=C5)O.[Na+]

InChI

InChI=1S/C20H25N6O6P.Na/c21-18-17-20(23-12-22-18)26(19(24-17)13-4-2-1-3-5-13)16-10-14(27)15(32-16)11-31-33(28,29)25-6-8-30-9-7-25;/h1-5,12,14-16,27H,6-11H2,(H,28,29)(H2,21,22,23);/q;+1/p-1/t14-,15+,16+;/m0./s1