[[(2R,4R)-4-[4-azanyl-5-(1,3-oxazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,4R)-4-[4-azanyl-5-(1,3-oxazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,4R)-4-(4-amino-5-oxazol-2-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,4R)-4-[4-amino-5-(2-oxazolyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,4R)-4-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,4R)-4-(4-amino-5-oxazol-2-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C13H16N5O13P3 MolecularWeight: 543.213123

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C3=C2N=CN=C3N)C4=NC=CO4

Isomeric SMILES

C1[C@@H](O[C@@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C3=C2N=CN=C3N)C4=NC=CO4

InChI

InChI=1S/C13H16N5O13P3/c14-11-10-7(13-15-1-2-26-13)3-18(12(10)17-6-16-11)8-4-27-9(29-8)5-28-33(22,23)31-34(24,25)30-32(19,20)21/h1-3,6,8-9H,4-5H2,(H,22,23)(H,24,25)(H2,14,16,17)(H2,19,20,21)/t8-,9-/m1/s1