[[(2R,3S,4R,5S)-5-(4-azanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5S)-5-(4-azanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5S)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5S)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5S)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5S)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C11H17N4O13P3 MolecularWeight: 506.192963

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1)N=CN=C2N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=C(C2=C(N1)N=CN=C2N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C11H17N4O13P3/c12-10-6-4(1-13-11(6)15-3-14-10)9-8(17)7(16)5(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h1,3,5,7-9,16-17H,2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,13,14,15)/t5-,7-,8-,9+/m1/s1