4-[[(4aR,6R,7R,7aR)-6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(4aR,6R,7R,7aR)-6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(4aR,6R,7R,7aR)-6-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(4aR,6R,7R,7aR)-6-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(4aR,6R,7R,7aR)-6-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(4aR,6R,7R,7aR)-6-(2-amino-6-keto-3H-purin-9-yl)-2-hydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl]oxy]-4-keto-butyric acid Formula: C14H16N5O10P MolecularWeight: 445.278101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)OC(=O)CCC(=O)O)OP(=O)(O1)O

Isomeric SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)OC(=O)CCC(=O)O)OP(=O)(O1)O

InChI

InChI=1S/C14H16N5O10P/c15-14-17-11-8(12(23)18-14)16-4-19(11)13-10(28-7(22)2-1-6(20)21)9-5(27-13)3-26-30(24,25)29-9/h4-5,9-10,13H,1-3H2,(H,20,21)(H,24,25)(H3,15,17,18,23)/t5-,9-,10-,13-/m1/s1