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Molecule
2′-O-Methylcytidine
CAS: 2140-72-9 · C10H15N3O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2140-72-9
- Molecular Formula
- C10H15N3O5
- Molecular Mass
- 257.25 g/mol
Identifiers
CAS Registry Number
2140-72-9
SMILES
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=N)nc1O
InChI Key
RFCQJGFZUQFYRF-ZOQUXTDFSA-N
InChI
InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1
Names and Synonyms
- 2′-O-Methylcytidine Synonym
- Cytidine, 2′-O-methyl- Synonym
- 2′-O-Methylcytidine Synonym
- O2′-Methylcytidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.25 g/mol | CAS Common Chemistry |
| 257.24600000000004 g/mol | RDKit | |
| 257.246 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(N)C=CN1C2OC(CO)C(O)C2OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RFCQJGFZUQFYRF-ZOQUXTDFSA-N | CAS Common Chemistry |
| Name | 2′-O-Methylcytidine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 120.82000000000001 Ų | RDKit |
| 120.82 Ų | RDKit | |
| 115.51 Ų | chempirical lib | |
| LogP | -1.66623 | RDKit |
| -1.6662 | RDKit | |
| Molar Refractivity | 57.54610000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 257.10117058000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 257.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N3O5.
