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Molecule
2′-Azido-2′-Deoxyuridine
CAS: 26929-65-7 · C9H11N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26929-65-7
- Molecular Formula
- C9H11N5O5
- Molecular Mass
- 269.22 g/mol
Identifiers
CAS Registry Number
26929-65-7
SMILES
[N-]=[N+]=N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(O)nc1=O
InChI Key
MRUKYOQQKHNMFI-XVFCMESISA-N
InChI
InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
Names and Synonyms
- 2′-Azido-2′-Deoxyuridine Systematic Name
- Uridine, 2′-azido-2′-deoxy- Synonym
- 2′-Azido-2′-deoxyuridine Synonym
- NSC 678533 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.22 g/mol | CAS Common Chemistry |
| 269.21700000000004 g/mol | RDKit | |
| 269.217 g/mol | RDKit | |
| Canonical SMILES | [N-]=[N+]=NC1C(O)C(OC1N2C=CC(=O)NC2=O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MRUKYOQQKHNMFI-XVFCMESISA-N | CAS Common Chemistry |
| Name | 2′-Azido-2′-deoxyuridine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 153.57000000000002 Ų | RDKit |
| 153.57 Ų | RDKit | |
| 159.86 Ų | chempirical lib | |
| LogP | -1.1216000000000002 | RDKit |
| -1.1216 | RDKit | |
| Molar Refractivity | 60.09840000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 269.076018452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 269.22 g/mol. Edit any field — others recompute live.
