[[(2S,3R,4S)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2S,3R,4S)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2S,3R,4S)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2S,3R,4S)-4-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2S,3R,4S)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2S,3R,4S)-4-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H15N2O14P3 MolecularWeight: 468.141683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N2C=CC(=O)NC2=O

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N2C=CC(=O)NC2=O

InChI

InChI=1S/C9H15N2O14P3/c12-7-1-2-11(9(14)10-7)5-3-22-6(8(5)13)4-23-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H,10,12,14)(H2,15,16,17)/t5-,6-,8+/m0/s1