[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-ethoxycarbonyl-phosphinic acid

Systemtic Name: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-ethoxycarbonyl-phosphinic acid Openeye Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid CAS Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-ethoxycarbonylphosphinic acid IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid Traditional Name: [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-carbethoxy-phosphinic acid Formula: C12H18N3O9P MolecularWeight: 379.259781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)P(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O

Isomeric SMILES

CCOC(=O)P(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O

InChI

InChI=1S/C12H18N3O9P/c1-2-22-12(19)25(20,21)23-5-6-8(16)9(17)10(24-6)15-4-3-7(13)14-11(15)18/h3-4,6,8-10,16-17H,2,5H2,1H3,(H,20,21)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1