disodium [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate hydrate

Systemtic Name: disodium [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate hydrate Openeye Name: disodium [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate hydrate CAS Name: disodium [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl phosphate hydrate IUPAC Name: disodium [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate hydrate Traditional Name: disodium (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methyl phosphate hydrate Formula: C10H14N5Na2O7P MolecularWeight: 393.200761

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)([O-])[O-])O.O.[Na+].[Na+]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)([O-])[O-])O.O.[Na+].[Na+]

InChI

InChI=1S/C10H14N5O6P.2Na.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19;;;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);;;1H2/q;2*+1;/p-2