N-(1-Oxobutyl)-Cytidine Cyclic 3',5'-(Hydrogen Phosphate) 2'-butanoate
[CAS# 64649-87-2]

Identification

• Name: N-(1-Oxobutyl)-Cytidine Cyclic 3',5'-(Hydrogen Phosphate) 2'-butanoate
• Synonyms: [(1R,6R,8R,9R)-8-[4-(Butanoylamino)-2-Oxo-Pyrimidin-1-Yl]-3-Hydroxy-3-Oxo-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Butanoate; Butanoic Acid [(1R,6R,8R,9R)-3-Hydroxy-3-Oxo-8-[2-Oxo-4-(1-Oxobutylamino)-1-Pyrimidinyl]-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Ester; Butyric Acid [(1R,6R,8R,9R)-8-(4-Butyramido-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-3-Keto-2,4,7-Trioxa-3$L^{5}-Phosphabicyclo[4.3.0]Nonan-9-Yl] Ester
• Molecular Formula: C₁₇H₂₄N₃O₉P
• Molecular Weight: 445.37
• CAS Registry Number: 64649-87-2
• SMILES: [C@@H]13O[P](OC[C@H]1O[C@@H](N2C(=O)N=C(NC(=O)CCC)C=C2)[C@@H]3OC(=O)CCC)(=O)O
• InChI: 1S/C17H24N3O9P/c1-3-5-12(21)18-11-7-8-20(17(23)19-11)16-15(28-13(22)6-4-2)14-10(27-16)9-26-30(24,25)29-14/h7-8,10,14-16H,3-6,9H2,1-2H3,(H,24,25)(H,18,19,21,23)/t10-,14-,15-,16-/m1/s1
• InChIKey: IPICHPMWYGQEKH-HMTTWLPMSA-N

Properties

• Density: 1.638g/cm³ (Cal.)