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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
Names and Synonyms:
7-Methylguanosine
Guanosine, 7-methyl-
Purinium, 2-amino-1,6-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosyl-
1H-Purinium, 2-amino-6,9-dihydro-7-methyl-6-oxo-9-β-D-ribofuranosyl-
7-Methylguanosine
N7-Methylguanosine
Identifiers:
SMILES:
C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(=N)nc(O)c21
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
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 | 298.28 g/mol | CAS Common Chemistry |
| 298.27900000000005 g/mol | RDKit | |
| 298.11459503209 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 151.48999999999998 Ų | RDKit |
| LogP | -3.014529999999999 | RDKit |
| Molar Refractivity | 65.78860000000003 | RDKit |
