[(3aR,4R,6R,6aR)-4-(2,4-Dioxopyrimidin-1-Yl)-1',3',5'-Trinitrospiro[3a,4,6,6a-Tetrahydrofuro[3,4-d][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methyl Dihydrogen Phosphate
[CAS# 141802-28-0]

Identification

• Name: [(3aR,4R,6R,6aR)-4-(2,4-Dioxopyrimidin-1-Yl)-1',3',5'-Trinitrospiro[3a,4,6,6a-Tetrahydrofuro[3,4-d][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(3Ar,4R,6R,6Ar)-4-(2,4-Dioxopyrimidin-1-Yl)-1',3',5'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methyl Dihydrogen Phosphate; [(3Ar,4R,6R,6Ar)-4-(2,4-Dioxo-1-Pyrimidinyl)-1',3',5'-Trinitro-6-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]Yl]Methyl Dihydrogen Phosphate; [(3Ar,4R,6R,6Ar)-4-(2,4-Diketopyrimidin-1-Yl)-1',3',5'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₅H₁₄N₅O₁₅P
• Molecular Weight: 535.27
• CAS Registry Number: 141802-28-0
• SMILES: [C@@H]2(CO[P](=O)(O)O)[C@H]1OC4(O[C@H]1[C@@H](O2)N3C(=O)NC(=O)C=C3)C(=CC(=CC4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: 1S/C15H14N5O15P/c21-10-1-2-17(14(22)16-10)13-12-11(7(33-13)5-32-36(29,30)31)34-15(35-12)8(19(25)26)3-6(18(23)24)4-9(15)20(27)28/h1-4,7-8,11-13H,5H2,(H,16,21,22)(H2,29,30,31)/t7-,8?,11-,12-,13-,15?/m1/s1
• InChIKey: GPCSIXCSWYBKCL-GSBRZVNQSA-N

Properties

• Density: 1.975g/cm³ (Cal.)