sodium [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate dihydrate

Systemtic Name: sodium [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate dihydrate Openeye Name: sodium [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate dihydrate CAS Name: sodium [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate dihydrate IUPAC Name: sodium [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate dihydrate Traditional Name: sodium (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl phosphate dihydrate Formula: C10H16N5NaO9P- MolecularWeight: 404.225671

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.O.O.[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.O.O.[Na+]

InChI

InChI=1S/C10H14N5O7P.Na.2H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;2*1H2/q;+1;;/p-2