Back to Search
Floxuridine
CAS: 50-91-9 | C9H11FN2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-91-9
Molecular Formula:
C9H11FN2O5
Molecular Mass:
246.19 g/mol
Names and Synonyms:
Floxuridine
Uridine, 2′-deoxy-5-fluoro-
2′-Deoxy-5-fluorouridine
Floxuridine
5-Fluorodeoxyuridine
5-Fluoro-2′-deoxyuridine
5-Fluorouracil 2′-deoxyriboside
5-Fluorouracil deoxyriboside
NSC 27640
1-(2-Deoxy-β-D-ribofuranosyl)-5-fluorouracil
5-Fluoro-2′-deoxy-β-uridine
FUDR
Floxuridin
FdUrd
NSC 26740
5-FudR
Identifiers:
SMILES:
O=c1nc(O)c(F)cn1[C@H]1C[C@H](O)[C@@H](CO)O1
InChI:
InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
Key Properties
Melting Point
150-151 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.19 g/mol | CAS Common Chemistry |
| 246.19399999999996 g/mol | RDKit | |
| 246.065199672 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)N(C=C1F)C2OC(CO)C(O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ODKNJVUHOIMIIZ-RRKCRQDMSA-N | CAS Common Chemistry |
| Melting Point | 150-151 °C | CAS Common Chemistry |
| Name | Floxuridine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.81 Ų | RDKit |
| LogP | -1.2713 | RDKit |
| Molar Refractivity | 51.73940000000003 | RDKit |
