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N2,N2-Dimethylguanosine
CAS: 2140-67-2 | C12H17N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2140-67-2
Molecular Formula:
C12H17N5O5
Molecular Mass:
311.30 g/mol
Names and Synonyms:
N2,N2-Dimethylguanosine
Guanosine, N,N-dimethyl-
N,N-Dimethylguanosine
2,2-Dimethylguanosine
2-Dimethylamino-6-oxypurine riboside
N2,N2-Dimethylguanosine
Identifiers:
SMILES:
CN(C)c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChI:
InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1
Key Properties
Melting Point
235-236 °C (decomp)
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 | 311.30 g/mol | CAS Common Chemistry |
| 311.29800000000006 g/mol | RDKit | |
| 311.122968644 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(NC2=C1N=CN2C3OC(CO)C(O)C3O)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RSPURTUNRHNVGF-IOSLPCCCSA-N | CAS Common Chemistry |
| Melting Point | 235-236 °C (decomp) | CAS Common Chemistry |
| Name | N2,N2-Dimethylguanosine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 136.99 Ų | RDKit |
| LogP | -1.7906000000000002 | RDKit |
| Molar Refractivity | 74.3242 | RDKit |
