Cas no 138949-77-6 (Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-5-methyl-)
138949-77-6 structure
Product Name:Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-5-methyl-
CAS No:138949-77-6
MF:C10H16FN2O14P3
MW:500.158729553223
CID:1257377
PubChem ID:77846221
Update Time:2025-04-20
Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-5-methyl- Chemical and Physical Properties
Names and Identifiers
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- Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-5-methyl-
- 138949-77-6
- ((2R,3R,4R,5R)-4-Fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
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- Inchi： 1S/C10H16FN2O14P3/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
- InChI Key： RUKRVHYQIIURNV-JXOAFFINSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC(C(C)=C2)=O)=O)O1)F)O
Computed Properties
- Exact Mass: 499.97984234g/mol
- Monoisotopic Mass: 499.97984234g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 889
- 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: -4.7
- Topological Polar Surface Area: 239?2
Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-5-methyl- Related Literature
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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