Cas no 139729-89-8 (5'-Uridylic acid, 2'-deoxy-2',2'-difluoro-)
139729-89-8 structure
Product Name:5'-Uridylic acid, 2'-deoxy-2',2'-difluoro-
CAS No:139729-89-8
MF:C9H11F2N2O8P
MW:344.162810564041
CID:1280205
PubChem ID:44448712
Update Time:2025-04-20
5'-Uridylic acid, 2'-deoxy-2',2'-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- 5'-Uridylic acid, 2'-deoxy-2',2'-difluoro-
- D1OE4MXZ8A
- 2',2'-Difluorodeoxyuridine 5'-monophosphate
- SCHEMBL350010
- CHEMBL257363
- 139729-89-8
- UNII-D1OE4MXZ8A
- APSMIPKDENVCML-QPPQHZFASA-N
- 2',2'-difluorodeoxyuridine monophosphate
- BDBM50411966
- 2'-Deoxy-2',2'-difluoro-5'-uridylic acid
-
- Inchi： 1S/C9H11F2N2O8P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)13-2-1-5(14)12-8(13)16/h1-2,4,6-7,15H,3H2,(H,12,14,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
- InChI Key： APSMIPKDENVCML-QPPQHZFASA-N
- SMILES： P(=O)(O)(O)OC[C@@H]1[C@H](C([C@H](N2C=CC(NC2=O)=O)O1)(F)F)O
Computed Properties
- Exact Mass: 344.02213
- Monoisotopic Mass: 344.02210864g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 564
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 146?2
Experimental Properties
- PSA: 145.63
5'-Uridylic acid, 2'-deoxy-2',2'-difluoro- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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