6-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(5-carboxynonanoyloxy)-4-oxidanyl-oxolan-2-yl]methoxy]-2-butyl-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(5-carboxynonanoyloxy)-4-oxidanyl-oxolan-2-yl]methoxy]-2-butyl-6-oxidanylidene-hexanoic acid Openeye Name: 6-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-(5-carboxynonanoyloxy)-4-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-butyl-6-oxo-hexanoic acid CAS Name: 6-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-(5-carboxy-1-oxononoxy)-4-hydroxy-2-oxolanyl]methoxy]-2-butyl-6-oxohexanoic acid IUPAC Name: 6-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-(5-carboxynonanoyloxy)-4-hydroxyoxolan-2-yl]methoxy]-2-butyl-6-oxohexanoic acid Traditional Name: 6-[[5-(2-amino-6-keto-3H-purin-9-yl)-3-(5-carboxynonanoyloxy)-4-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-butyl-6-keto-hexanoic acid Formula: C30H45N5O11 MolecularWeight: 651.7052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)CCCC(CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)CCCC(CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C30H45N5O11/c1-3-5-9-17(28(40)41)11-7-13-20(36)44-15-19-24(46-21(37)14-8-12-18(29(42)43)10-6-4-2)23(38)27(45-19)35-16-32-22-25(35)33-30(31)34-26(22)39/h16-19,23-24,27,38H,3-15H2,1-2H3,(H,40,41)(H,42,43)(H3,31,33,34,39)