[[(2R,3R,4S,5R)-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoranyl-4-methyl-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3R,4S,5R)-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoranyl-4-methyl-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-4-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3R,4S,5R)-5-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-3-fluoro-4-hydroxy-4-methyl-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3R,4S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-4-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C12H18FN4O12P3 MolecularWeight: 522.210606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=CC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)O

InChI

InChI=1S/C12H18FN4O12P3/c1-12(18)8(13)7(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(12)17-3-2-6-9(14)15-5-16-10(6)17/h2-3,5,7-8,11,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,14,15,16)(H2,19,20,21)/t7-,8-,11-,12-/m1/s1