3-(6-aminopurin-9-yl)propoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

Systemtic Name: 3-(6-aminopurin-9-yl)propoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid Openeye Name: 3-(6-aminopurin-9-yl)propoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid CAS Name: 3-(6-aminopurin-9-yl)propoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid IUPAC Name: 3-(6-aminopurin-9-yl)propoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Traditional Name: 3-adenin-9-ylpropoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid Formula: C9H16N5O10P3 MolecularWeight: 447.172123

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H16N5O10P3/c10-8-7-9(12-4-11-8)14(5-13-7)2-1-3-22-6-25(15,16)23-27(20,21)24-26(17,18)19/h4-5H,1-3,6H2,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)