[(2R,3S,5R)-5-[[2-Amino-5-(Formyl-Methylamino)-6-Oxo-3H-Pyrimidin-4-Yl]Amino]-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
[CAS# 123497-15-4]

Identification

• Name: [(2R,3S,5R)-5-[[2-Amino-5-(Formyl-Methylamino)-6-Oxo-3H-Pyrimidin-4-Yl]Amino]-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-[[2-Amino-5-(Formyl-Methyl-Amino)-6-Oxo-3H-Pyrimidin-4-Yl]Amino]-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,5R)-5-[[2-Amino-5-(Formyl-Methylamino)-6-Oxo-3H-Pyrimidin-4-Yl]Amino]-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,5R)-5-[[2-Amino-5-(Formyl-Methyl-Amino)-6-Keto-3H-Pyrimidin-4-Yl]Amino]-2-Methylol-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₁H₁₈N₅O₈P
• Molecular Weight: 379.27
• CAS Registry Number: 123497-15-4
• SMILES: [C@H]2(NC1=C(C(N=C(N1)N)=O)N(C=O)C)C[C@@H]([C@H](O2)CO)O[P](=O)(O)O
• InChI: 1S/C11H18N5O8P/c1-16(4-18)8-9(14-11(12)15-10(8)19)13-7-2-5(6(3-17)23-7)24-25(20,21)22/h4-7,17H,2-3H2,1H3,(H2,20,21,22)(H4,12,13,14,15,19)/t5-,6+,7+/m0/s1
• InChIKey: GCBTZSPITZMWJH-RRKCRQDMSA-N

Properties

• Density: 1.99g/cm³ (Cal.)
• Boiling point: 685.819°C at 760 mmHg (Cal.)
• Flash point: 368.57°C (Cal.)