sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-methyl-phosphinate

Systemtic Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-methyl-phosphinate Openeye Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-methyl-phosphinate CAS Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]oxy-methylphosphinate IUPAC Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxy-methylphosphinate Traditional Name: sodium [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-methyl-phosphinate Formula: C10H13N5NaO6P MolecularWeight: 353.203651

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)([O-])OC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Na+]

Isomeric SMILES

CP(=O)([O-])O[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[Na+]

InChI

InChI=1S/C10H14N5O6P.Na/c1-22(18,19)21-10-6(17)5(16)9(20-10)15-3-14-4-7(11)12-2-13-8(4)15;/h2-3,5-6,9-10,16-17H,1H3,(H,18,19)(H2,11,12,13);/q;+1/p-1/t5-,6+,9-,10-;/m1./s1