2-(6-aminopurin-9-yl)oxyethoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)oxyethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Traditional Name: 2-adenin-9-yloxyethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid Formula: C8H14N5O11P3 MolecularWeight: 449.144943

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H14N5O11P3/c9-7-6-8(11-3-10-7)13(4-12-6)22-2-1-21-5-25(14,15)23-27(19,20)24-26(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18)