Back to Search
Molecule
7-Methylguanosine
CAS: 20244-86-4 · C11H16N5O5+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20244-86-4
- Molecular Formula
- C11H16N5O5+
- Molecular Mass
- 298.28 g/mol
Identifiers
CAS Registry Number
20244-86-4
SMILES
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(=N)nc(O)c21
InChI Key
OGHAROSJZRTIOK-KQYNXXCUSA-O
InChI
InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
Names and Synonyms
- 7-Methylguanosine Synonym
- Guanosine, 7-methyl- Synonym
- Purinium, 2-amino-1,6-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosyl- Synonym
- 1H-Purinium, 2-amino-6,9-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosyl- Synonym
- 7-Methylguanosine Synonym
- N7-Methylguanosine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.28 g/mol | CAS Common Chemistry |
| 298.27900000000005 g/mol | RDKit | |
| 298.279 g/mol | RDKit | |
| 299.287 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/7-Methylguanosine | CAS Common Chemistry |
| Canonical SMILES | O=C1N=C(N)NC2=C1[N+](=CN2C3OC(CO)C(O)C3O)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OGHAROSJZRTIOK-KQYNXXCUSA-O | CAS Common Chemistry |
| Name | 7-Methylguanosine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 151.48999999999998 Ų | RDKit |
| 151.49 Ų | RDKit | |
| 150.51 Ų | chempirical lib | |
| LogP | -3.014529999999999 | RDKit |
| -3.0145 | RDKit | |
| Molar Refractivity | 65.78860000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 1 | RDKit |
| Fraction Csp3 | 0.5455 | RDKit |
| Exact Mass | 298.11459503209 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 298.28 g/mol. Edit any field — others recompute live.
