[(2S,3aR,4R,6R,6aR)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-6-(hydroxymethyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid

Systemtic Name: [(2S,3aR,4R,6R,6aR)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-6-(hydroxymethyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid Openeye Name: [(2S,3aR,4R,6R,6aR)-4-(4-amino-2-oxo-pyrimidin-1-yl)-6-(hydroxymethyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid CAS Name: [(2S,3aR,4R,6R,6aR)-4-(4-amino-2-oxo-1-pyrimidinyl)-6-(hydroxymethyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid IUPAC Name: [(2S,3aR,4R,6R,6aR)-4-(4-amino-2-oxopyrimidin-1-yl)-6-(hydroxymethyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid Traditional Name: [(2S,3aR,4R,6R,6aR)-4-(4-amino-2-keto-pyrimidin-1-yl)-6-methylol-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid Formula: C16H18N3O8P MolecularWeight: 411.303181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(OC3C(OC(C3O2)N4C=CC(=NC4=O)N)CO)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@]2(O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=NC4=O)N)CO)P(=O)(O)O

InChI

InChI=1S/C16H18N3O8P/c17-11-6-7-19(15(21)18-11)14-13-12(10(8-20)25-14)26-16(27-13,28(22,23)24)9-4-2-1-3-5-9/h1-7,10,12-14,20H,8H2,(H2,17,18,21)(H2,22,23,24)/t10-,12-,13-,14-,16+/m1/s1