[(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4,5-Tetrahydroxypentoxy]Phosphoryl] Hydrogen Phosphate
[CAS# 3506-17-0]

Identification

• Name: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4,5-Tetrahydroxypentoxy]Phosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4,5-Tetrahydroxypentoxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4,5-Tetrahydroxypentoxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3S,4S)-2,3,4,5-Tetrahydroxypentoxy]Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₄H₂₅N₃O₁₅P₂
• Molecular Weight: 537.31
• CAS Registry Number: 3506-17-0
• SMILES: [C@H]2(N1C(N=C(C=C1)N)=O)[C@@H]([C@H](O)[C@H](O2)CO[P](O[P](OC[C@H]([C@H]([C@@H](O)CO)O)O)(=O)O)(=O)O)O
• InChI: 1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1
• InChIKey: DPJKHFICSGCNIR-HRENORGGSA-N

Properties

• Density: 2.151g/cm³ (Cal.)
• Boiling point: 915.999°C at 760 mmHg (Cal.)
• Flash point: 507.778°C (Cal.)