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Molecule
5-Methyl-2′-O-Methyluridine
CAS: 55486-09-4 · C11H16N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55486-09-4
- Molecular Formula
- C11H16N2O6
- Molecular Mass
- 272.26 g/mol
Identifiers
CAS Registry Number
55486-09-4
SMILES
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(O)nc1=O
InChI Key
YHRRPHCORALGKQ-FDDDBJFASA-N
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
Names and Synonyms
- 5-Methyl-2′-O-Methyluridine Systematic Name
- Uridine, 5-methyl-2′-O-methyl- Synonym
- 5-Methyl-2′-O-methyluridine Synonym
- 2′-O-Methylribothymidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.26 g/mol | CAS Common Chemistry |
| 272.25700000000006 g/mol | RDKit | |
| 272.257 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 |
| 7 | RDKit | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 114.03999999999999 Ų | RDKit |
| 114.04 Ų | RDKit | |
| 120.58 Ų | chempirical lib | |
| LogP | -1.4770800000000002 | RDKit |
| -1.4771 | RDKit | |
| Molar Refractivity | 62.698400000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6364 | RDKit |
| 0.64 | chempirical lib | |
| Exact Mass | 272.100836232 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 272.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H16N2O6.
