sodium [(2R,3S,4R,5R)-5-(8-chloranyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-morpholin-4-yl-phosphinate

Systemtic Name: sodium [(2R,3S,4R,5R)-5-(8-chloranyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-morpholin-4-yl-phosphinate Openeye Name: sodium [(2R,3S,4R,5R)-5-(8-chloro-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinate CAS Name: sodium [(2R,3S,4R,5R)-5-(8-chloro-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-(4-morpholinyl)phosphinate IUPAC Name: sodium [(2R,3S,4R,5R)-5-(8-chloro-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinate Traditional Name: sodium [(2R,3S,4R,5R)-5-(8-chloro-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-morpholino-phosphinate Formula: C14H18ClN5NaO8P MolecularWeight: 473.737951

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1P(=O)([O-])OCC2C(C(C(O2)N3C4=C(C(=O)N=CN4)N=C3Cl)O)O.[Na+]

Isomeric SMILES

C1COCCN1P(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N=CN4)N=C3Cl)O)O.[Na+]

InChI

InChI=1S/C14H19ClN5O8P.Na/c15-14-18-8-11(16-6-17-12(8)23)20(14)13-10(22)9(21)7(28-13)5-27-29(24,25)19-1-3-26-4-2-19;/h6-7,9-10,13,21-22H,1-5H2,(H,24,25)(H,16,17,23);/q;+1/p-1/t7-,9-,10-,13-;/m1./s1