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

Systemtic Name: [[(2R,3R,4R,5S)-4-methyl-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3R,4R,5S)-3,4-dihydroxy-4-methyl-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3R,4R,5S)-3,4-dihydroxy-4-methyl-5-[4-(methylamino)-7-furo[3,2-d]pyrimidinyl]-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3R,4R,5S)-3,4-dihydroxy-4-methyl-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3R,4R,5S)-3,4-dihydroxy-4-methyl-5-[4-(methylamino)furo[3,2-d]pyrimidin-7-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C13H20N3O14P3 MolecularWeight: 535.230883

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1C2=COC3=C2N=CN=C3NC)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](O[C@H]1C2=COC3=C2N=CN=C3NC)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C13H20N3O14P3/c1-13(18)10(17)7(4-27-32(22,23)30-33(24,25)29-31(19,20)21)28-11(13)6-3-26-9-8(6)15-5-16-12(9)14-2/h3,5,7,10-11,17-18H,4H2,1-2H3,(H,22,23)(H,24,25)(H,14,15,16)(H2,19,20,21)/t7-,10-,11+,13-/m1/s1