3,N(4)-Propanodeoxycytidine 5'-Monophosphate
[CAS# 121730-59-4]

Identification

• Name: 3,N(4)-Propanodeoxycytidine 5'-Monophosphate
• Synonyms: [(2R,3S,5R)-5-(4A-Amino-1-Oxo-6,7-Dihydro-5H-Pyrrolo[1,2-C]Pyrimidin-2-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-5-(4A-Amino-1-Oxo-6,7-Dihydro-5H-Pyrrolo[1,2-C]Pyrimidin-2-Yl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-5-(4A-Amino-1-Keto-6,7-Dihydro-5H-Pyrrolo[1,2-C]Pyrimidin-2-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₂H₂₀N₃O₇P
• Molecular Weight: 349.28
• CAS Registry Number: 121730-59-4
• SMILES: [C@@H]1(CO[P](=O)(O)O)[C@@H](O)C[C@@H](O1)N2C(=O)N3C(N)(C=C2)CCC3
• InChI: 1S/C12H20N3O7P/c13-12-2-1-4-15(12)11(17)14(5-3-12)10-6-8(16)9(22-10)7-21-23(18,19)20/h3,5,8-10,16H,1-2,4,6-7,13H2,(H2,18,19,20)/t8-,9+,10+,12?/m0/s1
• InChIKey: JQERILIWSYYMHJ-BCGUWXCSSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Boiling point: 626.274°C at 760 mmHg (Cal.)
• Flash point: 332.559°C (Cal.)