2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: 2-adenin-9-ylethoxymethylphosphonic acid; [(1R)-2-adenin-9-yl-1-methyl-ethoxy]methylphosphonic acid Formula: C17H26N10O8P2 MolecularWeight: 560.398062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O.C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O

Isomeric SMILES

C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O.C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C9H14N5O4P.C8H12N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)/t6-;/m1./s1