[5-(6-azanyl-7H-purin-9-ium-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl 2-azanyl-3-oxidanyl-propanoate

Systemtic Name: [5-(6-azanyl-7H-purin-9-ium-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl 2-azanyl-3-oxidanyl-propanoate Openeye Name: [5-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl 2-amino-3-hydroxy-propanoate CAS Name: 2-amino-3-hydroxypropanoic acid [5-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl 2-amino-3-hydroxypropanoate Traditional Name: 2-amino-3-hydroxy-propionic acid [5-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl ester Formula: C13H20N6O9P+ MolecularWeight: 435.306461

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)COC(=O)C(CO)N)OP(=O)(O)O)O

Isomeric SMILES

C1=[N+](C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)COC(=O)C(CO)N)OP(=O)(O)O)O

InChI

InChI=1S/C13H19N6O9P/c14-5(1-20)13(22)26-2-6-9(28-29(23,24)25)8(21)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,1-2,14H2,(H4,15,16,17,23,24,25)/p+1