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Molecule
(2′R)-2′-Deoxy-2′-Fluoro-2′-Methyluridine
CAS: 863329-66-2 · C10H13FN2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 863329-66-2
- Molecular Formula
- C10H13FN2O5
- Molecular Mass
- 260.22 g/mol
Identifiers
CAS Registry Number
863329-66-2
SMILES
C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(O)nc1=O
InChI Key
ARKKGZQTGXJVKW-VPCXQMTMSA-N
InChI
InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1
Names and Synonyms
- (2′R)-2′-Deoxy-2′-Fluoro-2′-Methyluridine Common Name
- Uridine, 2′-deoxy-2′-fluoro-2′-methyl-, (2′R)- Synonym
- (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine Synonym
- RO 2433 Synonym
- PSI-6206 Synonym
- GS 331007 Synonym
- 1-((2R,3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione Synonym
- (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.22 g/mol | CAS Common Chemistry |
| 260.221 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2(F)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ARKKGZQTGXJVKW-VPCXQMTMSA-N | CAS Common Chemistry |
| Melting Point | 237.3-238.0 °C | CAS Common Chemistry |
| Name | (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| 6 | RDKit | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.81 Ų | RDKit |
| 111.35 Ų | chempirical lib | |
| LogP | -1.0723000000000003 | RDKit |
| -1.0723 | RDKit | |
| Molar Refractivity | 56.67740000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 260.080849736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
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MW = 260.22 g/mol. Edit any field — others recompute live.
