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

Systemtic Name: sodium [(2R,3S,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-morpholin-4-yl-phosphinate Openeye Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinate CAS Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromo-9-purinyl)-3-hydroxy-2-oxolanyl]methoxy-(4-morpholinyl)phosphinate IUPAC Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinate Traditional Name: sodium [(2R,3S,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinate Formula: C14H19BrN6NaO6P MolecularWeight: 501.204791

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)([O-])OCC2C(CC(O2)N3C4=C(C(=NC=N4)N)N=C3Br)O.[Na+]

Isomeric SMILES

C1COCCN1P(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3Br)O.[Na+]

InChI

InChI=1S/C14H20BrN6O6P.Na/c15-14-19-11-12(16)17-7-18-13(11)21(14)10-5-8(22)9(27-10)6-26-28(23,24)20-1-3-25-4-2-20;/h7-10,22H,1-6H2,(H,23,24)(H2,16,17,18);/q;+1/p-1/t8-,9+,10+;/m0./s1