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N2-Methylguanosine
CAS: 2140-77-4 | C11H15N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2140-77-4
Molecular Formula:
C11H15N5O5
Molecular Mass:
297.27 g/mol
Names and Synonyms:
N2-Methylguanosine
Guanosine, N-methyl-
N-Methylguanosine
N2-Methylguanosine
2-Methylguanosine
N2-Methylguanine riboside
Identifiers:
SMILES:
CN=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
InChI:
InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1
Key Properties
Melting Point
233 °C (decomp) @ Solvent: Water
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 | 297.27 g/mol | CAS Common Chemistry |
| 297.271 g/mol | RDKit | |
| 297.1073185800001 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(NC2=C1N=CN2C3OC(CO)C(O)C3O)NC | CAS Common Chemistry |
| InChI | InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SLEHROROQDYRAW-KQYNXXCUSA-N | CAS Common Chemistry |
| Melting Point | 233 °C (decomp) @ Solvent: Water | CAS Common Chemistry |
| Name | N2-Methylguanosine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 149.01 Ų | RDKit |
| LogP | -2.3929999999999993 | RDKit |
| Molar Refractivity | 68.03990000000002 | RDKit |
