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2′-O-Methylcytidine
CAS: 2140-72-9 | C10H15N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2140-72-9
Molecular Formula:
C10H15N3O5
Molecular Mass:
257.25 g/mol
Names and Synonyms:
2′-O-Methylcytidine
Cytidine, 2′-O-methyl-
2′-O-Methylcytidine
O2′-Methylcytidine
Identifiers:
SMILES:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=N)nc1O
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
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 | 257.25 g/mol | CAS Common Chemistry |
| 257.24600000000004 g/mol | RDKit | |
| 257.10117058000003 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 |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 120.82000000000001 Ų | RDKit |
| LogP | -1.66623 | RDKit |
| Molar Refractivity | 57.54610000000003 | RDKit |
