[(2S,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-(1-phosphonooxyethyl)oxolan-3-yl] 2-azanylethanoate

Systemtic Name: [(2S,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-(1-phosphonooxyethyl)oxolan-3-yl] 2-azanylethanoate Openeye Name: [(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(1-phosphonooxyethyl)tetrahydrofuran-3-yl] 2-aminoacetate CAS Name: 2-aminoacetic acid [(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(1-phosphonooxyethyl)-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(1-phosphonooxyethyl)oxolan-3-yl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [(2S,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-(1-phosphonooxyethyl)tetrahydrofuran-3-yl] ester Formula: C13H19N6O9P MolecularWeight: 434.298521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)CN)OP(=O)(O)O

Isomeric SMILES

CC([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)CN)OP(=O)(O)O

InChI

InChI=1S/C13H19N6O9P/c1-4(28-29(23,24)25)8-9(26-5(20)2-14)7(21)12(27-8)19-3-16-6-10(19)17-13(15)18-11(6)22/h3-4,7-9,12,21H,2,14H2,1H3,(H2,23,24,25)(H3,15,17,18,22)/t4?,7-,8-,9+,12-/m1/s1