Cas no 942288-40-6 (Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-bis(3-fluorobenzoate))
942288-40-6 structure
Product Name:Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-bis(3-fluorobenzoate)
CAS No:942288-40-6
MF:C23H17F4N3O6
MW:507.391199827194
CID:5684977
Update Time:2023-09-15
Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-bis(3-fluorobenzoate) Chemical and Physical Properties
Names and Identifiers
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- Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-bis(3-fluorobenzoate)
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- Inchi： 1S/C23H17F4N3O6/c24-14-5-1-3-12(9-14)19(31)34-11-16-18(36-20(32)13-4-2-6-15(25)10-13)23(26,27)21(35-16)30-8-7-17(28)29-22(30)33/h1-10,16,18,21H,11H2,(H2,28,29,33)/t16-,18-,21-/m1/s1
- InChI Key： BCPNLELRECTUGI-HGHGUNKESA-N
- SMILES： C(OC(=O)C1=CC=CC(F)=C1)[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@](F)(F)[C@@H]1OC(=O)C1=CC=CC(F)=C1
Experimental Properties
- Density: 1.54±0.1 g/cm3(Predicted)
- Boiling Point: 623.7±65.0 °C(Predicted)
- pka: 4.26±0.10(Predicted)
Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-bis(3-fluorobenzoate) Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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