5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-4-azaniumyl-pentanoate

Systemtic Name: 5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-4-azaniumyl-pentanoate Openeye Name: 5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-4-azaniumyl-pentanoate CAS Name: 5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-4-ammoniopentanoate IUPAC Name: 5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-azaniumylpentanoate Traditional Name: 5-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-oxido-phosphoryl]oxy-4-ammonio-valerate Formula: C15H22N6O9P- MolecularWeight: 461.343741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O)O

InChI

InChI=1S/C15H23N6O9P/c16-7(1-2-9(22)23)3-28-31(26,27)29-4-8-11(24)12(25)15(30-8)21-6-20-10-13(17)18-5-19-14(10)21/h5-8,11-12,15,24-25H,1-4,16H2,(H,22,23)(H,26,27)(H2,17,18,19)/p-1