(Hydroxy-Phosphonooxyphosphoryl) [(1S,2R,4R,5R)-4-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)-3-Oxa-6-Thiabicyclo[3.1.0]Hexan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 152158-09-3]

Identification

• Name: (Hydroxy-Phosphonooxyphosphoryl) [(1S,2R,4R,5R)-4-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)-3-Oxa-6-Thiabicyclo[3.1.0]Hexan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: (Hydroxy-Phosphonooxy-Phosphoryl) [(1S,2R,4R,5R)-4-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)-3-Oxa-6-Thiabicyclo[3.1.0]Hexan-2-Yl]Methyl Hydrogen Phosphate; (Hydroxy-Phosphonooxyphosphoryl) [(1S,2R,4R,5R)-4-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Oxa-6-Thiabicyclo[3.1.0]Hexan-2-Yl]Methyl Hydrogen Phosphate; [(1S,2R,4R,5R)-4-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Oxa-6-Thiabicyclo[3.1.0]Hexan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₂O₁₃P₃S
• Molecular Weight: 496.22
• CAS Registry Number: 152158-09-3 (152158-10-6)
• SMILES: [C@H]12S[C@H]1[C@H](O[C@H]2N3C(=O)NC(=O)C(=C3)C)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O
• InChI: 1S/C10H15N2O13P3S/c1-4-2-12(10(14)11-8(4)13)9-7-6(29-7)5(23-9)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h2,5-7,9H,3H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t5-,6+,7+,9-/m1/s1
• InChIKey: CRXKEUULXKZHHS-UTSKPXGSSA-N

Properties

• Density: 1.968g/cm³ (Cal.)