Products 117961-29-2

CAS 117961-29-2 appears in our catalog under these names: Adenosine 5'–Triphosphate P3–(1–(2–Nitrophenyl)ethyl Ester) (trisodium), Adenosine 5'-Triphosphate P3-[1-(2-Nitrophenyl)ethyl Ester] Trisodium Salt, >97.0%(HPLC), Adenosine 5'-Triphosphate P3-[1-(2-Nitrophenyl)ethyl Ester] Trisodium Salt, 97.0%, 97.0%. Offered by: GLPBio, TCI, Chemat. Available pack sizes: 25mg, 5mg.

Structural formula: {0} (CAS {1})

Trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate (CAS 117961-29-2) is a chemical compound with the molecular formula C18H20N6Na3O15P3 and a molecular weight of 722.3 g/mol. IUPAC name: trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate. InChIKey: MDIHGLQHFXDYKV-LLSCZPFRSA-K.

Identity
Molecular formulaC18H20N6Na3O15P3
Molecular weight722.3 g/mol
IUPAC nametrisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate
InChIKeyMDIHGLQHFXDYKV-LLSCZPFRSA-K
SMILESCC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O.[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)