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5-Methyl-2′-O-Methyluridine
CAS: 55486-09-4 | C11H16N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55486-09-4
Molecular Formula:
C11H16N2O6
Molecular Mass:
272.26 g/mol
Names and Synonyms:
5-Methyl-2′-O-Methyluridine
Uridine, 5-methyl-2′-O-methyl-
5-Methyl-2′-O-methyluridine
2′-O-Methylribothymidine
Identifiers:
SMILES:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(O)nc1=O
InChI:
InChI=1S/C11H16N2O6/c1-5-3-13(11(17)12-9(5)16)10-8(18-2)7(15)6(4-14)19-10/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,16,17)/t6-,7-,8-,10-/m1/s1
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 | 272.26 g/mol | CAS Common Chemistry |
| 272.25700000000006 g/mol | RDKit | |
| 272.100836232 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)N(C=C1C)C2OC(CO)C(O)C2OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O6/c1-5-3-13(11(17)12-9(5)16)10-8(18-2)7(15)6(4-14)19-10/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,16,17)/t6-,7-,8-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YHRRPHCORALGKQ-FDDDBJFASA-N | CAS Common Chemistry |
| Name | 5-Methyl-2′-O-methyluridine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 114.03999999999999 Ų | RDKit |
| LogP | -1.4770800000000002 | RDKit |
| Molar Refractivity | 62.698400000000035 | RDKit |
