2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl]propanedioic acid

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl]propanedioic acid Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl]propanedioic acid CAS Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxymethyl]propanedioic acid IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]propanedioic acid Traditional Name: 2-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxymethyl]malonic acid Formula: C14H17N5O8 MolecularWeight: 383.31348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COCC(C(=O)O)C(=O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COCC(C(=O)O)C(=O)O)O)O

InChI

InChI=1S/C14H17N5O8/c15-10-7-11(17-3-16-10)19(4-18-7)12-9(21)8(20)6(27-12)2-26-1-5(13(22)23)14(24)25/h3-6,8-9,12,20-21H,1-2H2,(H,22,23)(H,24,25)(H2,15,16,17)