Cas no 77181-66-9 (5-(2-Oxopropyl)uridine)
5-(2-Oxopropyl)uridine structure
Product Name:5-(2-Oxopropyl)uridine
CAS No:77181-66-9
MF:C12H16N2O7
MW:300.264643669128
CID:2844615
PubChem ID:66623225
Update Time:2025-04-21
5-(2-Oxopropyl)uridine Chemical and Physical Properties
Names and Identifiers
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- DTXSID20735463
- 77181-66-9
- 5-(2-Oxopropyl)uridine
- SCHEMBL214639
-
- Inchi： 1S/C12H16N2O7/c1-5(16)2-6-3-14(12(20)13-10(6)19)11-9(18)8(17)7(4-15)21-11/h3,7-9,11,15,17-18H,2,4H2,1H3,(H,13,19,20)/t7-,8-,9-,11-/m1/s1
- InChI Key： NEOJKYRRLHDYII-TURQNECASA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C(NC(C(CC(C)=O)=C1)=O)=O)O)O
Computed Properties
- Exact Mass: 300.09575085g/mol
- Monoisotopic Mass: 300.09575085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 504
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.4
- Topological Polar Surface Area: 136?2
5-(2-Oxopropyl)uridine Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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