[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R)-2-[(1R)-1-adenin-9-yl-2-keto-ethoxy]-3-keto-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H14N5O13P3 MolecularWeight: 505.165143

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(C=O)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O

InChI

InChI=1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1