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Edoxudine
CAS: 15176-29-1 | C11H16N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15176-29-1
Molecular Formula:
C11H16N2O5
Molecular Mass:
256.26 g/mol
Names and Synonyms:
Edoxudine
Uridine, 2′-deoxy-5-ethyl-
2′-Deoxy-5-ethyluridine
5-Ethyl-2′-deoxyuridine
5-Ethyldeoxyuridine
β-5-Ethyldeoxyuridine
β-5-Ethyl-2′-deoxyuridine
EDU
Epoxudine
Edoxudine
5-Ethyl-1-(2′-deoxy-β-D-ribofuranosyl)uracil
Aedurid
ORF 15817
EUDR
RWJ 15817
Identifiers:
SMILES:
CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O
InChI:
InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
Key Properties
Melting Point
152.5 °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 | 256.26 g/mol | CAS Common Chemistry |
| 256.2579999999999 g/mol | RDKit | |
| 256.10592161200003 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)N(C=C1CC)C2OC(CO)C(O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XACKNLSZYYIACO-DJLDLDEBSA-N | CAS Common Chemistry |
| Melting Point | 152.5 °C | CAS Common Chemistry |
| Name | Edoxudine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.81 Ų | RDKit |
| LogP | -0.8480000000000001 | RDKit |
| Molar Refractivity | 61.15940000000003 | RDKit |
