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2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; phosphoric acid

2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; phosphoric acid

Systemtic Name:2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; phosphoric acid
Openeye Name:2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; phosphoric acid
CAS Name:2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; phosphoric acid
IUPAC Name:2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid; phosphoric acid
Traditional Name:2-adenin-9-ylethoxymethylphosphonic acid; phosphoric acid
Formula: C8H18N5O12P3
MolecularWeight: 469.176103
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O


Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O


InChI

InChI=1S/C8H12N5O4P.2H3O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16;2*1-5(2,3)4/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16);2*(H3,1,2,3,4)


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