1-[(6-aminopurin-9-yl)methoxy]propane-1,3-diol phosphate

Systemtic Name: 1-[(6-aminopurin-9-yl)methoxy]propane-1,3-diol phosphate Openeye Name: 1-[(6-aminopurin-9-yl)methoxy]propane-1,3-diol phosphate CAS Name: 1-[(6-aminopurin-9-yl)methoxy]propane-1,3-diol phosphate IUPAC Name: 1-[(6-aminopurin-9-yl)methoxy]propane-1,3-diol phosphate Traditional Name: 1-(adenin-9-ylmethoxy)propane-1,3-diol phosphate Formula: C9H13N5O7P-3 MolecularWeight: 334.202581

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2COC(CCO)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2COC(CCO)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H13N5O3.H3O4P/c10-8-7-9(12-3-11-8)14(4-13-7)5-17-6(16)1-2-15;1-5(2,3)4/h3-4,6,15-16H,1-2,5H2,(H2,10,11,12);(H3,1,2,3,4)/p-3